USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 22 LYS NZ :NH3+ -172:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.625! C(o=0.59!,f=-10!) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 6 GLN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.29! USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00515 K(o=-0.0052,f=-1.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 39 CYS SG : rot 87:sc= 0.497 USER MOD Single : A 43 SER OG : rot -160:sc=-0.00662 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -162:sc= 1.09 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= -0.0197 (180deg=-0.277) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.2!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.92 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 14.809 7.606 5.106 1.00 2.87 N ATOM 28 CA GLN A 3 13.389 7.925 5.196 1.00 2.29 C ATOM 29 C GLN A 3 12.552 6.870 4.479 1.00 1.97 C ATOM 30 O GLN A 3 13.020 6.228 3.540 1.00 2.17 O ATOM 31 CB GLN A 3 13.119 9.307 4.596 1.00 2.41 C ATOM 32 CG GLN A 3 14.221 10.317 4.878 1.00 3.17 C ATOM 33 CD GLN A 3 13.842 11.726 4.463 1.00 3.60 C ATOM 34 OE1 GLN A 3 12.834 11.938 3.789 1.00 3.44 O ATOM 35 NE2 GLN A 3 14.652 12.699 4.864 1.00 4.47 N ATOM 0 HA GLN A 3 13.105 7.933 6.248 1.00 2.29 H new ATOM 0 HB2 GLN A 3 12.995 9.208 3.518 1.00 2.41 H new ATOM 0 HB3 GLN A 3 12.178 9.688 4.992 1.00 2.41 H new ATOM 0 HG2 GLN A 3 14.455 10.306 5.943 1.00 3.17 H new ATOM 0 HG3 GLN A 3 15.126 10.018 4.350 1.00 3.17 H new ATOM 0 HE21 GLN A 3 15.477 12.478 5.422 1.00 4.47 H new ATOM 0 HE22 GLN A 3 14.449 13.667 4.614 1.00 4.47 H new ATOM 44 N VAL A 4 11.314 6.690 4.930 1.00 1.57 N ATOM 45 CA VAL A 4 10.424 5.704 4.327 1.00 1.29 C ATOM 46 C VAL A 4 9.238 6.358 3.628 1.00 1.28 C ATOM 47 O VAL A 4 8.706 7.369 4.086 1.00 1.44 O ATOM 48 CB VAL A 4 9.883 4.700 5.371 1.00 1.17 C ATOM 49 CG1 VAL A 4 11.026 4.007 6.095 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.957 5.392 6.360 1.00 1.57 C ATOM 0 H VAL A 4 10.906 7.211 5.706 1.00 1.57 H new ATOM 0 HA VAL A 4 11.028 5.172 3.592 1.00 1.29 H new ATOM 0 HB VAL A 4 9.306 3.941 4.843 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.622 3.305 6.825 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.640 3.467 5.374 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.637 4.751 6.607 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.589 4.665 7.084 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.503 6.179 6.881 1.00 1.57 H new ATOM 0 HG23 VAL A 4 8.114 5.829 5.825 1.00 1.57 H new ATOM 60 N VAL A 5 8.814 5.741 2.534 1.00 1.14 N ATOM 61 CA VAL A 5 7.672 6.211 1.770 1.00 1.22 C ATOM 62 C VAL A 5 6.448 5.397 2.165 1.00 1.03 C ATOM 63 O VAL A 5 6.493 4.167 2.187 1.00 0.92 O ATOM 64 CB VAL A 5 7.910 6.070 0.256 1.00 1.29 C ATOM 65 CG1 VAL A 5 9.086 6.929 -0.183 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.135 4.611 -0.114 1.00 1.70 C ATOM 0 H VAL A 5 9.252 4.902 2.153 1.00 1.14 H new ATOM 0 HA VAL A 5 7.520 7.268 1.990 1.00 1.22 H new ATOM 0 HB VAL A 5 7.021 6.421 -0.268 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.239 6.816 -1.256 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.878 7.974 0.046 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.985 6.613 0.346 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.302 4.530 -1.188 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.007 4.231 0.418 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.258 4.026 0.162 1.00 1.70 H new ATOM 76 N GLN A 6 5.369 6.080 2.515 1.00 1.03 N ATOM 77 CA GLN A 6 4.159 5.398 2.950 1.00 0.85 C ATOM 78 C GLN A 6 3.081 5.380 1.873 1.00 0.83 C ATOM 79 O GLN A 6 2.926 6.334 1.111 1.00 0.94 O ATOM 80 CB GLN A 6 3.624 6.061 4.218 1.00 0.83 C ATOM 81 CG GLN A 6 4.544 5.897 5.415 1.00 1.45 C ATOM 82 CD GLN A 6 5.070 7.220 5.937 1.00 1.81 C ATOM 83 OE1 GLN A 6 4.751 7.631 7.053 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.881 7.895 5.131 1.00 2.01 N ATOM 0 H GLN A 6 5.306 7.098 2.507 1.00 1.03 H new ATOM 0 HA GLN A 6 4.423 4.360 3.155 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.472 7.124 4.028 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.649 5.638 4.457 1.00 0.83 H new ATOM 0 HG2 GLN A 6 4.007 5.384 6.213 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.385 5.261 5.137 1.00 1.45 H new ATOM 0 HE21 GLN A 6 6.119 7.517 4.214 1.00 2.01 H new ATOM 0 HE22 GLN A 6 6.266 8.791 5.429 1.00 2.01 H new ATOM 93 N PHE A 7 2.331 4.281 1.835 1.00 0.74 N ATOM 94 CA PHE A 7 1.251 4.113 0.876 1.00 0.78 C ATOM 95 C PHE A 7 -0.094 4.330 1.570 1.00 0.62 C ATOM 96 O PHE A 7 -0.287 3.914 2.715 1.00 0.55 O ATOM 97 CB PHE A 7 1.328 2.714 0.244 1.00 0.86 C ATOM 98 CG PHE A 7 0.055 2.260 -0.414 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.408 2.881 -1.562 1.00 0.98 C ATOM 100 CD2 PHE A 7 -0.677 1.216 0.123 1.00 1.14 C ATOM 101 CE1 PHE A 7 -1.581 2.467 -2.162 1.00 1.17 C ATOM 102 CE2 PHE A 7 -1.849 0.797 -0.473 1.00 1.29 C ATOM 103 CZ PHE A 7 -2.303 1.423 -1.617 1.00 1.29 C ATOM 0 H PHE A 7 2.456 3.489 2.465 1.00 0.74 H new ATOM 0 HA PHE A 7 1.349 4.852 0.081 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.128 2.706 -0.496 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.601 1.994 1.016 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.154 3.697 -1.992 1.00 0.98 H new ATOM 0 HD2 PHE A 7 -0.327 0.724 1.018 1.00 1.14 H new ATOM 0 HE1 PHE A 7 -1.933 2.959 -3.056 1.00 1.17 H new ATOM 0 HE2 PHE A 7 -2.411 -0.020 -0.045 1.00 1.29 H new ATOM 0 HZ PHE A 7 -3.220 1.097 -2.085 1.00 1.29 H new ATOM 113 N LYS A 8 -1.013 4.994 0.874 1.00 0.60 N ATOM 114 CA LYS A 8 -2.333 5.279 1.426 1.00 0.54 C ATOM 115 C LYS A 8 -3.443 4.777 0.506 1.00 0.68 C ATOM 116 O LYS A 8 -3.317 4.817 -0.718 1.00 0.77 O ATOM 117 CB LYS A 8 -2.492 6.785 1.659 1.00 0.61 C ATOM 118 CG LYS A 8 -2.663 7.587 0.379 1.00 1.40 C ATOM 119 CD LYS A 8 -2.551 9.081 0.639 1.00 2.22 C ATOM 120 CE LYS A 8 -1.213 9.438 1.266 1.00 1.88 C ATOM 121 NZ LYS A 8 -0.971 10.907 1.265 1.00 2.42 N ATOM 0 H LYS A 8 -0.867 5.344 -0.073 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.418 4.753 2.377 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.356 6.955 2.302 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.618 7.155 2.195 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -1.906 7.285 -0.345 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.634 7.365 -0.064 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -2.672 9.625 -0.298 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -3.359 9.398 1.298 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -1.182 9.066 2.290 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -0.412 8.938 0.721 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -0.048 11.107 1.701 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -0.975 11.259 0.286 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -1.720 11.383 1.807 1.00 2.42 H new ATOM 135 N LEU A 9 -4.533 4.314 1.109 1.00 0.86 N ATOM 136 CA LEU A 9 -5.678 3.812 0.356 1.00 1.06 C ATOM 137 C LEU A 9 -6.109 4.835 -0.695 1.00 1.74 C ATOM 138 O LEU A 9 -6.554 5.932 -0.358 1.00 2.24 O ATOM 139 CB LEU A 9 -6.829 3.513 1.326 1.00 1.28 C ATOM 140 CG LEU A 9 -8.098 2.898 0.718 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.796 3.887 -0.199 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.786 1.607 -0.019 1.00 1.96 C ATOM 0 H LEU A 9 -4.648 4.276 2.122 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.400 2.893 -0.161 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.458 2.837 2.097 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.106 4.443 1.824 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.775 2.659 1.538 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.691 3.427 -0.616 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -9.075 4.775 0.368 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -8.123 4.170 -1.008 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.705 1.196 -0.438 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -7.079 1.809 -0.823 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.350 0.888 0.675 1.00 1.96 H new ATOM 154 N SER A 10 -5.972 4.471 -1.967 1.00 2.11 N ATOM 155 CA SER A 10 -6.346 5.363 -3.060 1.00 2.83 C ATOM 156 C SER A 10 -6.975 4.590 -4.215 1.00 2.93 C ATOM 157 O SER A 10 -6.345 3.711 -4.801 1.00 3.26 O ATOM 158 CB SER A 10 -5.123 6.133 -3.560 1.00 3.76 C ATOM 159 OG SER A 10 -5.499 7.373 -4.134 1.00 4.49 O ATOM 0 H SER A 10 -5.606 3.567 -2.266 1.00 2.11 H new ATOM 0 HA SER A 10 -7.084 6.067 -2.676 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.435 6.306 -2.732 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.589 5.534 -4.298 1.00 3.76 H new ATOM 0 HG SER A 10 -4.699 7.846 -4.444 1.00 4.49 H new ATOM 165 N ASP A 11 -8.217 4.933 -4.545 1.00 3.22 N ATOM 166 CA ASP A 11 -8.928 4.280 -5.641 1.00 3.68 C ATOM 167 C ASP A 11 -10.393 4.709 -5.694 1.00 3.44 C ATOM 168 O ASP A 11 -10.998 4.730 -6.766 1.00 4.01 O ATOM 169 CB ASP A 11 -8.835 2.755 -5.523 1.00 4.18 C ATOM 170 CG ASP A 11 -9.175 2.247 -4.136 1.00 4.90 C ATOM 171 OD1 ASP A 11 -8.548 2.710 -3.162 1.00 5.41 O ATOM 172 OD2 ASP A 11 -10.068 1.380 -4.024 1.00 5.24 O ATOM 0 H ASP A 11 -8.752 5.659 -4.069 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.447 4.592 -6.568 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -9.510 2.298 -6.247 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -7.826 2.437 -5.783 1.00 4.18 H new ATOM 177 N ILE A 12 -10.963 5.053 -4.541 1.00 2.82 N ATOM 178 CA ILE A 12 -12.360 5.479 -4.490 1.00 2.70 C ATOM 179 C ILE A 12 -12.481 7.008 -4.459 1.00 2.96 C ATOM 180 O ILE A 12 -12.461 7.653 -5.508 1.00 3.29 O ATOM 181 CB ILE A 12 -13.130 4.878 -3.286 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.185 4.499 -2.139 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.958 3.679 -3.720 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.402 3.225 -2.383 1.00 1.97 C ATOM 0 H ILE A 12 -10.486 5.046 -3.639 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.816 5.098 -5.404 1.00 2.70 H new ATOM 0 HB ILE A 12 -13.805 5.648 -2.913 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.485 5.318 -1.973 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -12.767 4.386 -1.224 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.490 3.273 -2.859 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -14.677 3.989 -4.478 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.301 2.914 -4.134 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -10.757 3.025 -1.527 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -12.093 2.393 -2.519 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.791 3.339 -3.279 1.00 1.97 H new ATOM 196 N GLY A 13 -12.611 7.590 -3.264 1.00 3.15 N ATOM 197 CA GLY A 13 -12.737 9.030 -3.150 1.00 3.67 C ATOM 198 C GLY A 13 -12.266 9.541 -1.805 1.00 3.84 C ATOM 199 O GLY A 13 -11.995 8.756 -0.899 1.00 3.63 O ATOM 0 H GLY A 13 -12.631 7.087 -2.377 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.158 9.507 -3.941 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -13.778 9.315 -3.301 1.00 3.67 H new ATOM 203 N GLU A 14 -12.172 10.858 -1.669 1.00 4.49 N ATOM 204 CA GLU A 14 -11.731 11.465 -0.419 1.00 4.81 C ATOM 205 C GLU A 14 -12.908 11.686 0.530 1.00 4.15 C ATOM 206 O GLU A 14 -13.126 12.795 1.018 1.00 4.04 O ATOM 207 CB GLU A 14 -11.022 12.792 -0.701 1.00 5.76 C ATOM 208 CG GLU A 14 -9.508 12.699 -0.613 1.00 6.16 C ATOM 209 CD GLU A 14 -8.898 13.851 0.161 1.00 7.04 C ATOM 210 OE1 GLU A 14 -9.314 15.006 -0.067 1.00 7.20 O ATOM 211 OE2 GLU A 14 -8.004 13.598 0.996 1.00 7.72 O ATOM 0 H GLU A 14 -12.395 11.525 -2.407 1.00 4.49 H new ATOM 0 HA GLU A 14 -11.032 10.782 0.063 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -11.300 13.139 -1.696 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -11.374 13.541 0.008 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -9.232 11.759 -0.135 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -9.090 12.680 -1.619 1.00 6.16 H new ATOM 218 N GLY A 15 -13.664 10.623 0.793 1.00 3.81 N ATOM 219 CA GLY A 15 -14.802 10.733 1.687 1.00 3.32 C ATOM 220 C GLY A 15 -15.876 9.696 1.415 1.00 2.93 C ATOM 221 O GLY A 15 -16.700 9.409 2.283 1.00 3.13 O ATOM 0 H GLY A 15 -13.509 9.692 0.405 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -14.459 10.630 2.716 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -15.235 11.729 1.593 1.00 3.32 H new ATOM 225 N ILE A 16 -15.877 9.138 0.210 1.00 2.53 N ATOM 226 CA ILE A 16 -16.871 8.137 -0.162 1.00 2.22 C ATOM 227 C ILE A 16 -16.628 6.811 0.553 1.00 1.91 C ATOM 228 O ILE A 16 -15.831 6.730 1.488 1.00 1.88 O ATOM 229 CB ILE A 16 -16.894 7.905 -1.693 1.00 2.22 C ATOM 230 CG1 ILE A 16 -15.730 7.010 -2.144 1.00 2.32 C ATOM 231 CG2 ILE A 16 -16.858 9.236 -2.428 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.186 5.671 -2.685 1.00 2.22 C ATOM 0 H ILE A 16 -15.204 9.360 -0.524 1.00 2.53 H new ATOM 0 HA ILE A 16 -17.840 8.527 0.149 1.00 2.22 H new ATOM 0 HB ILE A 16 -17.822 7.390 -1.940 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.157 7.529 -2.912 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.058 6.845 -1.301 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -16.875 9.058 -3.503 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -17.726 9.831 -2.145 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -15.947 9.773 -2.163 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.317 5.086 -2.987 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.735 5.134 -1.911 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.834 5.829 -3.547 1.00 2.22 H new ATOM 244 N ARG A 17 -17.309 5.771 0.086 1.00 1.82 N ATOM 245 CA ARG A 17 -17.158 4.441 0.655 1.00 1.64 C ATOM 246 C ARG A 17 -15.691 4.032 0.637 1.00 1.22 C ATOM 247 O ARG A 17 -14.917 4.506 -0.195 1.00 1.14 O ATOM 248 CB ARG A 17 -17.997 3.426 -0.124 1.00 1.77 C ATOM 249 CG ARG A 17 -18.178 2.102 0.602 1.00 2.27 C ATOM 250 CD ARG A 17 -19.649 1.762 0.782 1.00 2.75 C ATOM 251 NE ARG A 17 -19.857 0.335 1.012 1.00 3.16 N ATOM 252 CZ ARG A 17 -19.794 -0.583 0.052 1.00 3.76 C ATOM 253 NH1 ARG A 17 -19.533 -0.223 -1.197 1.00 4.04 N ATOM 254 NH2 ARG A 17 -19.995 -1.861 0.341 1.00 4.40 N ATOM 0 H ARG A 17 -17.972 5.826 -0.687 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.510 4.461 1.687 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.978 3.857 -0.327 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.525 3.240 -1.089 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -17.686 1.308 0.041 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -17.693 2.151 1.577 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -20.051 2.327 1.623 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -20.203 2.071 -0.104 1.00 2.75 H new ATOM 0 HE ARG A 17 -20.062 0.025 1.962 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -19.380 0.760 -1.423 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -19.485 -0.929 -1.932 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -20.198 -2.141 1.301 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -19.946 -2.564 -0.396 1.00 4.40 H new ATOM 268 N GLU A 18 -15.310 3.162 1.559 1.00 1.16 N ATOM 269 CA GLU A 18 -13.930 2.706 1.649 1.00 0.91 C ATOM 270 C GLU A 18 -13.766 1.356 0.963 1.00 0.63 C ATOM 271 O GLU A 18 -14.748 0.762 0.519 1.00 0.66 O ATOM 272 CB GLU A 18 -13.511 2.635 3.112 1.00 1.29 C ATOM 273 CG GLU A 18 -13.543 3.991 3.796 1.00 1.64 C ATOM 274 CD GLU A 18 -14.630 4.087 4.848 1.00 1.83 C ATOM 275 OE1 GLU A 18 -15.079 3.028 5.336 1.00 2.17 O ATOM 276 OE2 GLU A 18 -15.033 5.220 5.185 1.00 2.11 O ATOM 0 H GLU A 18 -15.936 2.757 2.256 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.282 3.416 1.135 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.172 1.949 3.642 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.504 2.223 3.178 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.575 4.183 4.260 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.697 4.768 3.047 1.00 1.64 H new ATOM 283 N VAL A 19 -12.528 0.877 0.845 1.00 0.63 N ATOM 284 CA VAL A 19 -12.295 -0.400 0.169 1.00 0.57 C ATOM 285 C VAL A 19 -11.436 -1.356 0.988 1.00 0.41 C ATOM 286 O VAL A 19 -10.644 -0.941 1.835 1.00 0.47 O ATOM 287 CB VAL A 19 -11.645 -0.200 -1.212 1.00 0.93 C ATOM 288 CG1 VAL A 19 -10.235 0.345 -1.068 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.642 -1.506 -1.993 1.00 1.16 C ATOM 0 H VAL A 19 -11.690 1.339 1.198 1.00 0.63 H new ATOM 0 HA VAL A 19 -13.281 -0.848 0.047 1.00 0.57 H new ATOM 0 HB VAL A 19 -12.234 0.530 -1.767 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.794 0.479 -2.056 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -10.267 1.304 -0.552 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.631 -0.357 -0.493 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -11.179 -1.347 -2.967 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -11.078 -2.258 -1.442 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.667 -1.850 -2.131 1.00 1.16 H new ATOM 299 N THR A 20 -11.605 -2.647 0.715 1.00 0.37 N ATOM 300 CA THR A 20 -10.862 -3.690 1.408 1.00 0.30 C ATOM 301 C THR A 20 -9.679 -4.162 0.579 1.00 0.33 C ATOM 302 O THR A 20 -9.657 -3.998 -0.640 1.00 0.65 O ATOM 303 CB THR A 20 -11.749 -4.916 1.698 1.00 0.43 C ATOM 304 OG1 THR A 20 -13.132 -4.546 1.673 1.00 0.69 O ATOM 305 CG2 THR A 20 -11.399 -5.538 3.042 1.00 0.54 C ATOM 0 H THR A 20 -12.257 -2.996 0.012 1.00 0.37 H new ATOM 0 HA THR A 20 -10.516 -3.252 2.344 1.00 0.30 H new ATOM 0 HB THR A 20 -11.565 -5.657 0.920 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.685 -5.334 1.857 1.00 0.69 H new ATOM 0 HG21 THR A 20 -12.040 -6.401 3.221 1.00 0.54 H new ATOM 0 HG22 THR A 20 -10.356 -5.855 3.035 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.550 -4.803 3.833 1.00 0.54 H new ATOM 313 N VAL A 21 -8.708 -4.769 1.246 1.00 0.28 N ATOM 314 CA VAL A 21 -7.534 -5.288 0.559 1.00 0.25 C ATOM 315 C VAL A 21 -7.854 -6.631 -0.088 1.00 0.29 C ATOM 316 O VAL A 21 -8.407 -7.523 0.555 1.00 0.33 O ATOM 317 CB VAL A 21 -6.343 -5.456 1.517 1.00 0.29 C ATOM 318 CG1 VAL A 21 -5.106 -5.906 0.756 1.00 1.39 C ATOM 319 CG2 VAL A 21 -6.075 -4.160 2.268 1.00 1.21 C ATOM 0 H VAL A 21 -8.709 -4.914 2.256 1.00 0.28 H new ATOM 0 HA VAL A 21 -7.258 -4.564 -0.207 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.592 -6.226 2.247 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -4.273 -6.020 1.450 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -5.306 -6.861 0.269 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.851 -5.161 0.002 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -5.229 -4.298 2.941 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.847 -3.367 1.556 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.957 -3.885 2.846 1.00 1.21 H new ATOM 329 N LYS A 22 -7.520 -6.768 -1.366 1.00 0.36 N ATOM 330 CA LYS A 22 -7.791 -8.002 -2.092 1.00 0.46 C ATOM 331 C LYS A 22 -6.583 -8.932 -2.076 1.00 0.52 C ATOM 332 O LYS A 22 -6.730 -10.151 -1.988 1.00 0.66 O ATOM 333 CB LYS A 22 -8.187 -7.693 -3.537 1.00 0.52 C ATOM 334 CG LYS A 22 -8.385 -8.934 -4.393 1.00 0.78 C ATOM 335 CD LYS A 22 -9.751 -8.939 -5.061 1.00 1.48 C ATOM 336 CE LYS A 22 -9.817 -9.957 -6.187 1.00 2.16 C ATOM 337 NZ LYS A 22 -11.112 -9.893 -6.917 1.00 2.95 N ATOM 0 H LYS A 22 -7.063 -6.043 -1.919 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.618 -8.506 -1.591 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -9.109 -7.112 -3.536 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.417 -7.068 -3.990 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -7.606 -8.980 -5.154 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -8.278 -9.825 -3.774 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -10.518 -9.164 -4.320 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -9.969 -7.946 -5.454 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -8.998 -9.781 -6.884 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -9.679 -10.959 -5.780 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -11.173 -10.687 -7.585 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -11.897 -9.951 -6.237 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -11.172 -8.996 -7.439 1.00 2.95 H new ATOM 351 N GLU A 23 -5.390 -8.355 -2.170 1.00 0.46 N ATOM 352 CA GLU A 23 -4.166 -9.147 -2.175 1.00 0.56 C ATOM 353 C GLU A 23 -3.095 -8.533 -1.278 1.00 0.42 C ATOM 354 O GLU A 23 -2.796 -7.343 -1.370 1.00 0.42 O ATOM 355 CB GLU A 23 -3.633 -9.285 -3.603 1.00 0.73 C ATOM 356 CG GLU A 23 -3.587 -10.721 -4.098 1.00 1.09 C ATOM 357 CD GLU A 23 -3.668 -10.820 -5.609 1.00 1.33 C ATOM 358 OE1 GLU A 23 -4.197 -9.879 -6.237 1.00 1.63 O ATOM 359 OE2 GLU A 23 -3.205 -11.839 -6.163 1.00 2.13 O ATOM 0 H GLU A 23 -5.245 -7.348 -2.243 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.409 -10.134 -1.781 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -4.260 -8.698 -4.274 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.630 -8.861 -3.650 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -2.664 -11.190 -3.756 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -4.412 -11.280 -3.656 1.00 1.09 H new ATOM 366 N TRP A 24 -2.518 -9.365 -0.418 1.00 0.35 N ATOM 367 CA TRP A 24 -1.470 -8.932 0.499 1.00 0.26 C ATOM 368 C TRP A 24 -0.236 -9.811 0.327 1.00 0.24 C ATOM 369 O TRP A 24 -0.316 -11.032 0.461 1.00 0.33 O ATOM 370 CB TRP A 24 -1.975 -8.997 1.942 1.00 0.37 C ATOM 371 CG TRP A 24 -2.439 -7.675 2.465 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.668 -7.384 2.979 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.682 -6.463 2.521 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.722 -6.064 3.356 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.514 -5.477 3.086 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.381 -6.116 2.152 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -2.085 -4.169 3.289 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.043 -4.817 2.353 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.806 -3.857 2.919 1.00 0.70 C ATOM 0 H TRP A 24 -2.761 -10.352 -0.337 1.00 0.35 H new ATOM 0 HA TRP A 24 -1.200 -7.901 0.272 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.796 -9.712 2.001 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -1.178 -9.374 2.582 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.481 -8.089 3.076 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.529 -5.597 3.769 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.282 -6.850 1.717 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.739 -3.427 3.723 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.046 -4.536 2.069 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.443 -2.850 3.066 1.00 0.70 H new ATOM 390 N TYR A 25 0.902 -9.199 0.003 1.00 0.20 N ATOM 391 CA TYR A 25 2.127 -9.966 -0.210 1.00 0.31 C ATOM 392 C TYR A 25 3.323 -9.373 0.532 1.00 0.27 C ATOM 393 O TYR A 25 4.449 -9.421 0.039 1.00 0.36 O ATOM 394 CB TYR A 25 2.434 -10.050 -1.706 1.00 0.42 C ATOM 395 CG TYR A 25 1.853 -11.277 -2.372 1.00 0.70 C ATOM 396 CD1 TYR A 25 0.479 -11.431 -2.511 1.00 1.16 C ATOM 397 CD2 TYR A 25 2.679 -12.282 -2.859 1.00 1.07 C ATOM 398 CE1 TYR A 25 -0.055 -12.552 -3.117 1.00 1.44 C ATOM 399 CE2 TYR A 25 2.152 -13.406 -3.467 1.00 1.34 C ATOM 400 CZ TYR A 25 0.785 -13.536 -3.593 1.00 1.36 C ATOM 401 OH TYR A 25 0.257 -14.654 -4.197 1.00 1.72 O ATOM 0 H TYR A 25 1.001 -8.191 -0.116 1.00 0.20 H new ATOM 0 HA TYR A 25 1.958 -10.965 0.193 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.045 -9.160 -2.199 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.515 -10.046 -1.848 1.00 0.42 H new ATOM 0 HD1 TYR A 25 -0.182 -10.662 -2.139 1.00 1.16 H new ATOM 0 HD2 TYR A 25 3.750 -12.184 -2.761 1.00 1.07 H new ATOM 0 HE1 TYR A 25 -1.125 -12.657 -3.217 1.00 1.44 H new ATOM 0 HE2 TYR A 25 2.808 -14.178 -3.841 1.00 1.34 H new ATOM 0 HH TYR A 25 0.984 -15.249 -4.477 1.00 1.72 H new ATOM 411 N VAL A 26 3.080 -8.825 1.718 1.00 0.22 N ATOM 412 CA VAL A 26 4.151 -8.239 2.521 1.00 0.22 C ATOM 413 C VAL A 26 3.760 -8.192 3.996 1.00 0.22 C ATOM 414 O VAL A 26 2.575 -8.220 4.331 1.00 0.31 O ATOM 415 CB VAL A 26 4.513 -6.820 2.035 1.00 0.28 C ATOM 416 CG1 VAL A 26 4.866 -6.836 0.559 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.370 -5.850 2.305 1.00 0.40 C ATOM 0 H VAL A 26 2.155 -8.774 2.145 1.00 0.22 H new ATOM 0 HA VAL A 26 5.027 -8.877 2.403 1.00 0.22 H new ATOM 0 HB VAL A 26 5.386 -6.480 2.592 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.118 -5.827 0.234 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.720 -7.494 0.396 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.014 -7.199 -0.015 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.646 -4.856 1.955 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.476 -6.185 1.778 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.168 -5.814 3.376 1.00 0.40 H new ATOM 427 N LYS A 27 4.756 -8.136 4.877 1.00 0.24 N ATOM 428 CA LYS A 27 4.495 -8.104 6.314 1.00 0.26 C ATOM 429 C LYS A 27 5.361 -7.070 7.028 1.00 0.29 C ATOM 430 O LYS A 27 6.326 -6.552 6.468 1.00 0.42 O ATOM 431 CB LYS A 27 4.740 -9.485 6.922 1.00 0.38 C ATOM 432 CG LYS A 27 3.508 -10.375 6.917 1.00 0.61 C ATOM 433 CD LYS A 27 3.151 -10.844 8.319 1.00 0.99 C ATOM 434 CE LYS A 27 1.736 -10.437 8.698 1.00 1.52 C ATOM 435 NZ LYS A 27 0.836 -11.615 8.828 1.00 1.89 N ATOM 0 H LYS A 27 5.744 -8.112 4.624 1.00 0.24 H new ATOM 0 HA LYS A 27 3.452 -7.819 6.450 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.539 -9.980 6.370 1.00 0.38 H new ATOM 0 HB3 LYS A 27 5.088 -9.365 7.948 1.00 0.38 H new ATOM 0 HG2 LYS A 27 2.666 -9.830 6.490 1.00 0.61 H new ATOM 0 HG3 LYS A 27 3.686 -11.240 6.278 1.00 0.61 H new ATOM 0 HD2 LYS A 27 3.247 -11.928 8.377 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.856 -10.423 9.036 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.756 -9.889 9.640 1.00 1.52 H new ATOM 0 HE3 LYS A 27 1.339 -9.758 7.943 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 -0.119 -11.295 9.087 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 0.797 -12.124 7.922 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 1.201 -12.251 9.566 1.00 1.89 H new ATOM 449 N GLU A 28 5.004 -6.783 8.277 1.00 0.30 N ATOM 450 CA GLU A 28 5.743 -5.820 9.090 1.00 0.34 C ATOM 451 C GLU A 28 7.199 -6.250 9.237 1.00 0.38 C ATOM 452 O GLU A 28 7.483 -7.421 9.489 1.00 0.42 O ATOM 453 CB GLU A 28 5.108 -5.685 10.480 1.00 0.42 C ATOM 454 CG GLU A 28 3.591 -5.797 10.483 1.00 0.35 C ATOM 455 CD GLU A 28 2.955 -5.065 11.649 1.00 1.10 C ATOM 456 OE1 GLU A 28 2.951 -3.816 11.634 1.00 1.23 O ATOM 457 OE2 GLU A 28 2.459 -5.740 12.576 1.00 2.03 O ATOM 0 H GLU A 28 4.205 -7.205 8.750 1.00 0.30 H new ATOM 0 HA GLU A 28 5.704 -4.855 8.585 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.520 -6.455 11.132 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.391 -4.722 10.905 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.199 -5.395 9.549 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.308 -6.849 10.521 1.00 0.35 H new ATOM 464 N GLY A 29 8.121 -5.305 9.075 1.00 0.39 N ATOM 465 CA GLY A 29 9.531 -5.632 9.194 1.00 0.45 C ATOM 466 C GLY A 29 10.054 -6.425 8.007 1.00 0.40 C ATOM 467 O GLY A 29 11.210 -6.846 7.999 1.00 0.44 O ATOM 0 H GLY A 29 7.920 -4.327 8.865 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.106 -4.711 9.292 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.690 -6.206 10.107 1.00 0.45 H new ATOM 471 N ASP A 30 9.197 -6.647 7.012 1.00 0.34 N ATOM 472 CA ASP A 30 9.579 -7.415 5.832 1.00 0.31 C ATOM 473 C ASP A 30 10.001 -6.505 4.687 1.00 0.25 C ATOM 474 O ASP A 30 9.570 -5.355 4.600 1.00 0.24 O ATOM 475 CB ASP A 30 8.420 -8.304 5.379 1.00 0.31 C ATOM 476 CG ASP A 30 7.966 -9.263 6.462 1.00 0.91 C ATOM 477 OD1 ASP A 30 7.361 -8.799 7.451 1.00 1.36 O ATOM 478 OD2 ASP A 30 8.217 -10.479 6.321 1.00 1.27 O ATOM 0 H ASP A 30 8.236 -6.306 7.001 1.00 0.34 H new ATOM 0 HA ASP A 30 10.430 -8.038 6.107 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.581 -7.676 5.079 1.00 0.31 H new ATOM 0 HB3 ASP A 30 8.724 -8.872 4.500 1.00 0.31 H new ATOM 483 N THR A 31 10.840 -7.034 3.803 1.00 0.23 N ATOM 484 CA THR A 31 11.313 -6.277 2.656 1.00 0.18 C ATOM 485 C THR A 31 10.521 -6.644 1.407 1.00 0.18 C ATOM 486 O THR A 31 9.993 -7.751 1.295 1.00 0.30 O ATOM 487 CB THR A 31 12.810 -6.513 2.394 1.00 0.19 C ATOM 488 OG1 THR A 31 13.480 -6.833 3.620 1.00 0.31 O ATOM 489 CG2 THR A 31 13.444 -5.280 1.770 1.00 0.30 C ATOM 0 H THR A 31 11.205 -7.985 3.861 1.00 0.23 H new ATOM 0 HA THR A 31 11.165 -5.222 2.887 1.00 0.18 H new ATOM 0 HB THR A 31 12.910 -7.348 1.701 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.432 -6.983 3.443 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.503 -5.466 1.592 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.951 -5.057 0.824 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.333 -4.432 2.446 1.00 0.30 H new ATOM 497 N VAL A 32 10.432 -5.703 0.478 1.00 0.14 N ATOM 498 CA VAL A 32 9.694 -5.908 -0.761 1.00 0.14 C ATOM 499 C VAL A 32 10.635 -6.025 -1.954 1.00 0.14 C ATOM 500 O VAL A 32 11.761 -5.529 -1.918 1.00 0.18 O ATOM 501 CB VAL A 32 8.682 -4.765 -1.035 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.262 -5.272 -0.883 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.913 -3.559 -0.127 1.00 0.18 C ATOM 0 H VAL A 32 10.865 -4.783 0.560 1.00 0.14 H new ATOM 0 HA VAL A 32 9.145 -6.841 -0.634 1.00 0.14 H new ATOM 0 HB VAL A 32 8.839 -4.433 -2.061 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.563 -4.459 -1.078 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.086 -6.080 -1.593 1.00 0.28 H new ATOM 0 HG13 VAL A 32 7.114 -5.642 0.132 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.180 -2.785 -0.356 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.807 -3.862 0.915 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.917 -3.168 -0.290 1.00 0.18 H new ATOM 513 N SER A 33 10.156 -6.680 -3.010 1.00 0.23 N ATOM 514 CA SER A 33 10.943 -6.865 -4.225 1.00 0.31 C ATOM 515 C SER A 33 10.079 -6.667 -5.468 1.00 0.33 C ATOM 516 O SER A 33 8.852 -6.706 -5.396 1.00 0.35 O ATOM 517 CB SER A 33 11.571 -8.260 -4.242 1.00 0.38 C ATOM 518 OG SER A 33 12.393 -8.464 -3.106 1.00 1.42 O ATOM 0 H SER A 33 9.224 -7.092 -3.047 1.00 0.23 H new ATOM 0 HA SER A 33 11.736 -6.117 -4.233 1.00 0.31 H new ATOM 0 HB2 SER A 33 10.786 -9.015 -4.267 1.00 0.38 H new ATOM 0 HB3 SER A 33 12.162 -8.385 -5.149 1.00 0.38 H new ATOM 0 HG SER A 33 12.781 -9.363 -3.140 1.00 1.42 H new ATOM 524 N GLN A 34 10.731 -6.450 -6.607 1.00 0.37 N ATOM 525 CA GLN A 34 10.027 -6.240 -7.870 1.00 0.41 C ATOM 526 C GLN A 34 8.997 -7.339 -8.123 1.00 0.43 C ATOM 527 O GLN A 34 8.033 -7.137 -8.862 1.00 0.52 O ATOM 528 CB GLN A 34 11.026 -6.188 -9.029 1.00 0.44 C ATOM 529 CG GLN A 34 10.368 -6.137 -10.400 1.00 0.76 C ATOM 530 CD GLN A 34 11.051 -5.164 -11.341 1.00 1.54 C ATOM 531 OE1 GLN A 34 10.681 -3.993 -11.416 1.00 2.38 O ATOM 532 NE2 GLN A 34 12.053 -5.647 -12.067 1.00 1.72 N ATOM 0 H GLN A 34 11.748 -6.415 -6.682 1.00 0.37 H new ATOM 0 HA GLN A 34 9.499 -5.289 -7.803 1.00 0.41 H new ATOM 0 HB2 GLN A 34 11.664 -5.312 -8.909 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.674 -7.063 -8.979 1.00 0.44 H new ATOM 0 HG2 GLN A 34 10.381 -7.133 -10.842 1.00 0.76 H new ATOM 0 HG3 GLN A 34 9.322 -5.852 -10.286 1.00 0.76 H new ATOM 0 HE21 GLN A 34 12.326 -6.625 -11.972 1.00 1.72 H new ATOM 0 HE22 GLN A 34 12.549 -5.040 -12.719 1.00 1.72 H new ATOM 541 N PHE A 35 9.210 -8.501 -7.515 1.00 0.43 N ATOM 542 CA PHE A 35 8.301 -9.630 -7.686 1.00 0.48 C ATOM 543 C PHE A 35 7.295 -9.720 -6.540 1.00 0.43 C ATOM 544 O PHE A 35 6.276 -10.401 -6.654 1.00 0.47 O ATOM 545 CB PHE A 35 9.092 -10.936 -7.785 1.00 0.58 C ATOM 546 CG PHE A 35 9.107 -11.526 -9.167 1.00 0.99 C ATOM 547 CD1 PHE A 35 9.596 -10.798 -10.240 1.00 1.86 C ATOM 548 CD2 PHE A 35 8.634 -12.809 -9.393 1.00 1.12 C ATOM 549 CE1 PHE A 35 9.612 -11.336 -11.512 1.00 2.52 C ATOM 550 CE2 PHE A 35 8.647 -13.353 -10.664 1.00 1.64 C ATOM 551 CZ PHE A 35 9.137 -12.616 -11.725 1.00 2.31 C ATOM 0 H PHE A 35 10.003 -8.686 -6.900 1.00 0.43 H new ATOM 0 HA PHE A 35 7.747 -9.470 -8.611 1.00 0.48 H new ATOM 0 HB2 PHE A 35 10.118 -10.755 -7.465 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.666 -11.663 -7.093 1.00 0.58 H new ATOM 0 HD1 PHE A 35 9.969 -9.797 -10.080 1.00 1.86 H new ATOM 0 HD2 PHE A 35 8.251 -13.390 -8.567 1.00 1.12 H new ATOM 0 HE1 PHE A 35 9.995 -10.757 -12.339 1.00 2.52 H new ATOM 0 HE2 PHE A 35 8.274 -14.353 -10.827 1.00 1.64 H new ATOM 0 HZ PHE A 35 9.149 -13.039 -12.718 1.00 2.31 H new ATOM 561 N ASP A 36 7.586 -9.042 -5.432 1.00 0.36 N ATOM 562 CA ASP A 36 6.700 -9.069 -4.273 1.00 0.34 C ATOM 563 C ASP A 36 5.958 -7.746 -4.099 1.00 0.25 C ATOM 564 O ASP A 36 6.501 -6.785 -3.554 1.00 0.21 O ATOM 565 CB ASP A 36 7.498 -9.388 -3.007 1.00 0.41 C ATOM 566 CG ASP A 36 6.801 -10.406 -2.125 1.00 0.76 C ATOM 567 OD1 ASP A 36 6.426 -11.480 -2.641 1.00 1.69 O ATOM 568 OD2 ASP A 36 6.631 -10.129 -0.919 1.00 0.84 O ATOM 0 H ASP A 36 8.423 -8.471 -5.313 1.00 0.36 H new ATOM 0 HA ASP A 36 5.958 -9.850 -4.443 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.481 -9.766 -3.286 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.658 -8.470 -2.441 1.00 0.41 H new ATOM 573 N SER A 37 4.707 -7.709 -4.552 1.00 0.26 N ATOM 574 CA SER A 37 3.881 -6.510 -4.431 1.00 0.21 C ATOM 575 C SER A 37 3.554 -6.246 -2.965 1.00 0.23 C ATOM 576 O SER A 37 3.639 -7.152 -2.139 1.00 0.28 O ATOM 577 CB SER A 37 2.591 -6.668 -5.236 1.00 0.25 C ATOM 578 OG SER A 37 2.760 -7.595 -6.295 1.00 0.94 O ATOM 0 H SER A 37 4.243 -8.496 -5.006 1.00 0.26 H new ATOM 0 HA SER A 37 4.438 -5.662 -4.829 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.788 -7.004 -4.580 1.00 0.25 H new ATOM 0 HB3 SER A 37 2.290 -5.701 -5.640 1.00 0.25 H new ATOM 0 HG SER A 37 1.920 -7.679 -6.793 1.00 0.94 H new ATOM 584 N ILE A 38 3.186 -5.008 -2.641 1.00 0.22 N ATOM 585 CA ILE A 38 2.862 -4.654 -1.260 1.00 0.27 C ATOM 586 C ILE A 38 1.376 -4.854 -0.958 1.00 0.27 C ATOM 587 O ILE A 38 0.983 -5.888 -0.409 1.00 0.27 O ATOM 588 CB ILE A 38 3.280 -3.202 -0.932 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.790 -3.042 -1.142 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.891 -2.841 0.499 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.361 -1.755 -0.584 1.00 0.47 C ATOM 0 H ILE A 38 3.105 -4.240 -3.308 1.00 0.22 H new ATOM 0 HA ILE A 38 3.433 -5.329 -0.623 1.00 0.27 H new ATOM 0 HB ILE A 38 2.756 -2.521 -1.602 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.302 -3.885 -0.677 1.00 0.36 H new ATOM 0 HG13 ILE A 38 5.004 -3.089 -2.210 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.194 -1.815 0.711 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.811 -2.932 0.617 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.390 -3.517 1.193 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.434 -1.720 -0.774 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.879 -0.904 -1.066 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.181 -1.713 0.490 1.00 0.47 H new ATOM 603 N CYS A 39 0.556 -3.867 -1.310 1.00 0.32 N ATOM 604 CA CYS A 39 -0.879 -3.943 -1.061 1.00 0.34 C ATOM 605 C CYS A 39 -1.678 -3.835 -2.355 1.00 0.40 C ATOM 606 O CYS A 39 -1.292 -3.122 -3.280 1.00 0.55 O ATOM 607 CB CYS A 39 -1.307 -2.832 -0.102 1.00 0.40 C ATOM 608 SG CYS A 39 -2.982 -3.026 0.551 1.00 1.29 S ATOM 0 H CYS A 39 0.861 -3.008 -1.767 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.085 -4.915 -0.612 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -0.605 -2.796 0.731 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.238 -1.874 -0.618 1.00 0.40 H new ATOM 0 HG CYS A 39 -2.948 -3.767 1.619 1.00 1.29 H new ATOM 614 N GLU A 40 -2.803 -4.541 -2.403 1.00 0.36 N ATOM 615 CA GLU A 40 -3.671 -4.521 -3.574 1.00 0.44 C ATOM 616 C GLU A 40 -5.138 -4.506 -3.156 1.00 0.48 C ATOM 617 O GLU A 40 -5.590 -5.375 -2.410 1.00 0.50 O ATOM 618 CB GLU A 40 -3.395 -5.734 -4.464 1.00 0.57 C ATOM 619 CG GLU A 40 -1.957 -5.821 -4.947 1.00 1.15 C ATOM 620 CD GLU A 40 -1.156 -6.875 -4.207 1.00 1.65 C ATOM 621 OE1 GLU A 40 -0.799 -6.634 -3.035 1.00 1.74 O ATOM 622 OE2 GLU A 40 -0.887 -7.940 -4.800 1.00 2.37 O ATOM 0 H GLU A 40 -3.135 -5.135 -1.643 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.459 -3.613 -4.139 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.639 -6.642 -3.912 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.058 -5.698 -5.328 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -1.949 -6.046 -6.013 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -1.476 -4.851 -4.822 1.00 1.15 H new ATOM 629 N VAL A 41 -5.880 -3.519 -3.647 1.00 0.55 N ATOM 630 CA VAL A 41 -7.299 -3.399 -3.331 1.00 0.64 C ATOM 631 C VAL A 41 -8.124 -3.301 -4.608 1.00 0.92 C ATOM 632 O VAL A 41 -7.613 -2.908 -5.656 1.00 1.08 O ATOM 633 CB VAL A 41 -7.585 -2.172 -2.442 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.777 -2.243 -1.156 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.291 -0.881 -3.192 1.00 1.32 C ATOM 0 H VAL A 41 -5.523 -2.791 -4.265 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.582 -4.296 -2.780 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.644 -2.179 -2.182 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.993 -1.368 -0.542 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -7.045 -3.146 -0.608 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.714 -2.265 -1.395 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.500 -0.029 -2.545 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.242 -0.863 -3.488 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.920 -0.825 -4.080 1.00 1.32 H new ATOM 645 N GLN A 42 -9.396 -3.669 -4.522 1.00 1.03 N ATOM 646 CA GLN A 42 -10.273 -3.625 -5.686 1.00 1.34 C ATOM 647 C GLN A 42 -11.585 -2.915 -5.372 1.00 1.39 C ATOM 648 O GLN A 42 -12.194 -3.144 -4.327 1.00 1.38 O ATOM 649 CB GLN A 42 -10.550 -5.042 -6.190 1.00 1.58 C ATOM 650 CG GLN A 42 -9.353 -5.687 -6.870 1.00 1.80 C ATOM 651 CD GLN A 42 -9.728 -6.923 -7.664 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.883 -7.349 -7.663 1.00 2.33 O ATOM 653 NE2 GLN A 42 -8.750 -7.505 -8.349 1.00 2.60 N ATOM 0 H GLN A 42 -9.841 -3.999 -3.666 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.764 -3.058 -6.465 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.860 -5.664 -5.350 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.385 -5.014 -6.891 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -8.883 -4.962 -7.534 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.613 -5.955 -6.116 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.807 -7.117 -8.321 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -8.942 -8.340 -8.903 1.00 2.60 H new ATOM 662 N SER A 43 -12.015 -2.055 -6.290 1.00 1.55 N ATOM 663 CA SER A 43 -13.258 -1.311 -6.124 1.00 1.64 C ATOM 664 C SER A 43 -14.288 -1.748 -7.160 1.00 2.05 C ATOM 665 O SER A 43 -13.936 -2.153 -8.268 1.00 2.29 O ATOM 666 CB SER A 43 -13.000 0.192 -6.243 1.00 1.43 C ATOM 667 OG SER A 43 -14.001 0.936 -5.571 1.00 1.73 O ATOM 0 H SER A 43 -11.519 -1.856 -7.159 1.00 1.55 H new ATOM 0 HA SER A 43 -13.652 -1.523 -5.130 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.022 0.431 -5.824 1.00 1.43 H new ATOM 0 HB3 SER A 43 -12.975 0.478 -7.295 1.00 1.43 H new ATOM 0 HG SER A 43 -14.009 1.855 -5.911 1.00 1.73 H new ATOM 673 N ASP A 44 -15.561 -1.669 -6.790 1.00 2.23 N ATOM 674 CA ASP A 44 -16.644 -2.062 -7.685 1.00 2.66 C ATOM 675 C ASP A 44 -16.499 -1.405 -9.054 1.00 2.80 C ATOM 676 O ASP A 44 -16.906 -1.970 -10.069 1.00 3.14 O ATOM 677 CB ASP A 44 -17.995 -1.692 -7.072 1.00 2.85 C ATOM 678 CG ASP A 44 -18.460 -2.704 -6.044 1.00 3.67 C ATOM 679 OD1 ASP A 44 -18.147 -3.902 -6.209 1.00 3.89 O ATOM 680 OD2 ASP A 44 -19.136 -2.300 -5.075 1.00 4.39 O ATOM 0 H ASP A 44 -15.869 -1.336 -5.876 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.591 -3.142 -7.819 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -17.922 -0.710 -6.604 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.741 -1.613 -7.863 1.00 2.85 H new ATOM 685 N LYS A 45 -15.926 -0.206 -9.078 1.00 2.69 N ATOM 686 CA LYS A 45 -15.741 0.526 -10.327 1.00 2.92 C ATOM 687 C LYS A 45 -14.444 0.123 -11.023 1.00 3.03 C ATOM 688 O LYS A 45 -14.429 -0.119 -12.231 1.00 3.65 O ATOM 689 CB LYS A 45 -15.748 2.033 -10.065 1.00 2.89 C ATOM 690 CG LYS A 45 -14.572 2.514 -9.233 1.00 2.98 C ATOM 691 CD LYS A 45 -14.624 4.018 -9.015 1.00 3.17 C ATOM 692 CE LYS A 45 -13.244 4.647 -9.130 1.00 3.22 C ATOM 693 NZ LYS A 45 -13.271 6.103 -8.820 1.00 3.62 N ATOM 0 H LYS A 45 -15.582 0.279 -8.249 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.571 0.272 -10.987 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -15.745 2.559 -11.020 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -16.675 2.300 -9.557 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -14.574 2.005 -8.269 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -13.639 2.249 -9.731 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -15.293 4.470 -9.748 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -15.040 4.230 -8.030 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -12.557 4.143 -8.449 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -12.860 4.498 -10.139 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -12.312 6.495 -8.909 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -13.907 6.588 -9.485 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -13.614 6.245 -7.848 1.00 3.62 H new ATOM 707 N ALA A 46 -13.356 0.056 -10.263 1.00 2.58 N ATOM 708 CA ALA A 46 -12.061 -0.312 -10.824 1.00 2.82 C ATOM 709 C ALA A 46 -11.200 -1.049 -9.805 1.00 2.68 C ATOM 710 O ALA A 46 -11.417 -0.942 -8.598 1.00 2.63 O ATOM 711 CB ALA A 46 -11.335 0.927 -11.326 1.00 2.83 C ATOM 0 H ALA A 46 -13.345 0.251 -9.262 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.240 -0.987 -11.661 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.370 0.639 -11.742 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -11.933 1.412 -12.098 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.181 1.619 -10.498 1.00 2.83 H new ATOM 717 N SER A 47 -10.216 -1.791 -10.304 1.00 2.96 N ATOM 718 CA SER A 47 -9.309 -2.543 -9.445 1.00 2.92 C ATOM 719 C SER A 47 -7.909 -1.942 -9.496 1.00 2.26 C ATOM 720 O SER A 47 -7.426 -1.565 -10.564 1.00 2.31 O ATOM 721 CB SER A 47 -9.265 -4.011 -9.872 1.00 3.72 C ATOM 722 OG SER A 47 -9.209 -4.132 -11.284 1.00 4.52 O ATOM 0 H SER A 47 -10.027 -1.887 -11.302 1.00 2.96 H new ATOM 0 HA SER A 47 -9.678 -2.486 -8.421 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.396 -4.496 -9.428 1.00 3.72 H new ATOM 0 HB3 SER A 47 -10.147 -4.529 -9.494 1.00 3.72 H new ATOM 0 HG SER A 47 -9.180 -5.080 -11.530 1.00 4.52 H new ATOM 728 N VAL A 48 -7.262 -1.847 -8.340 1.00 2.12 N ATOM 729 CA VAL A 48 -5.921 -1.282 -8.268 1.00 1.80 C ATOM 730 C VAL A 48 -4.956 -2.213 -7.541 1.00 1.55 C ATOM 731 O VAL A 48 -5.311 -2.842 -6.544 1.00 1.97 O ATOM 732 CB VAL A 48 -5.926 0.085 -7.558 1.00 2.53 C ATOM 733 CG1 VAL A 48 -6.523 1.156 -8.458 1.00 2.98 C ATOM 734 CG2 VAL A 48 -6.686 0.000 -6.244 1.00 3.50 C ATOM 0 H VAL A 48 -7.642 -2.152 -7.444 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.584 -1.154 -9.297 1.00 1.80 H new ATOM 0 HB VAL A 48 -4.895 0.362 -7.340 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -6.517 2.114 -7.937 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -5.932 1.235 -9.370 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -7.548 0.888 -8.712 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -6.679 0.975 -5.756 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.715 -0.302 -6.438 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -6.209 -0.734 -5.595 1.00 3.50 H new ATOM 744 N THR A 49 -3.730 -2.283 -8.047 1.00 1.13 N ATOM 745 CA THR A 49 -2.695 -3.120 -7.456 1.00 0.98 C ATOM 746 C THR A 49 -1.400 -2.332 -7.306 1.00 0.69 C ATOM 747 O THR A 49 -0.963 -1.661 -8.241 1.00 0.71 O ATOM 748 CB THR A 49 -2.422 -4.376 -8.306 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.791 -4.007 -9.537 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.713 -5.126 -8.598 1.00 1.46 C ATOM 0 H THR A 49 -3.428 -1.765 -8.872 1.00 1.13 H new ATOM 0 HA THR A 49 -3.056 -3.436 -6.477 1.00 0.98 H new ATOM 0 HB THR A 49 -1.760 -5.032 -7.740 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.619 -4.811 -10.070 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.493 -6.008 -9.199 1.00 1.46 H new ATOM 0 HG22 THR A 49 -4.176 -5.432 -7.660 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.396 -4.476 -9.144 1.00 1.46 H new ATOM 758 N ILE A 50 -0.793 -2.402 -6.127 1.00 0.66 N ATOM 759 CA ILE A 50 0.444 -1.675 -5.875 1.00 0.49 C ATOM 760 C ILE A 50 1.660 -2.580 -6.021 1.00 0.37 C ATOM 761 O ILE A 50 1.940 -3.414 -5.157 1.00 0.36 O ATOM 762 CB ILE A 50 0.450 -1.048 -4.469 1.00 0.66 C ATOM 763 CG1 ILE A 50 -0.779 -0.157 -4.285 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.727 -0.250 -4.247 1.00 0.78 C ATOM 765 CD1 ILE A 50 -0.799 1.040 -5.211 1.00 1.01 C ATOM 0 H ILE A 50 -1.134 -2.950 -5.337 1.00 0.66 H new ATOM 0 HA ILE A 50 0.498 -0.882 -6.620 1.00 0.49 H new ATOM 0 HB ILE A 50 0.414 -1.848 -3.729 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.677 -0.751 -4.452 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -0.815 0.191 -3.253 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.714 0.186 -3.248 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.590 -0.909 -4.344 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.793 0.545 -4.989 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -1.698 1.628 -5.026 1.00 1.01 H new ATOM 0 HD12 ILE A 50 0.081 1.656 -5.028 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -0.795 0.699 -6.246 1.00 1.01 H new ATOM 777 N THR A 51 2.384 -2.394 -7.119 1.00 0.41 N ATOM 778 CA THR A 51 3.579 -3.176 -7.388 1.00 0.44 C ATOM 779 C THR A 51 4.759 -2.632 -6.598 1.00 0.40 C ATOM 780 O THR A 51 4.619 -1.673 -5.838 1.00 0.50 O ATOM 781 CB THR A 51 3.929 -3.178 -8.887 1.00 0.56 C ATOM 782 OG1 THR A 51 4.291 -1.858 -9.309 1.00 0.79 O ATOM 783 CG2 THR A 51 2.753 -3.675 -9.715 1.00 1.04 C ATOM 0 H THR A 51 2.161 -1.705 -7.838 1.00 0.41 H new ATOM 0 HA THR A 51 3.372 -4.201 -7.080 1.00 0.44 H new ATOM 0 HB THR A 51 4.773 -3.851 -9.039 1.00 0.56 H new ATOM 0 HG1 THR A 51 4.514 -1.869 -10.263 1.00 0.79 H new ATOM 0 HG21 THR A 51 3.023 -3.668 -10.771 1.00 1.04 H new ATOM 0 HG22 THR A 51 2.498 -4.691 -9.412 1.00 1.04 H new ATOM 0 HG23 THR A 51 1.894 -3.023 -9.556 1.00 1.04 H new ATOM 791 N SER A 52 5.918 -3.249 -6.770 1.00 0.49 N ATOM 792 CA SER A 52 7.113 -2.821 -6.058 1.00 0.56 C ATOM 793 C SER A 52 7.987 -1.920 -6.925 1.00 0.56 C ATOM 794 O SER A 52 8.253 -0.777 -6.564 1.00 0.66 O ATOM 795 CB SER A 52 7.911 -4.039 -5.594 1.00 0.63 C ATOM 796 OG SER A 52 7.049 -5.098 -5.214 1.00 1.36 O ATOM 0 H SER A 52 6.057 -4.044 -7.393 1.00 0.49 H new ATOM 0 HA SER A 52 6.797 -2.244 -5.189 1.00 0.56 H new ATOM 0 HB2 SER A 52 8.571 -4.372 -6.395 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.546 -3.763 -4.752 1.00 0.63 H new ATOM 0 HG SER A 52 7.545 -5.744 -4.668 1.00 1.36 H new ATOM 802 N ARG A 53 8.449 -2.457 -8.056 1.00 0.54 N ATOM 803 CA ARG A 53 9.317 -1.721 -8.983 1.00 0.63 C ATOM 804 C ARG A 53 10.677 -1.382 -8.353 1.00 0.58 C ATOM 805 O ARG A 53 11.481 -0.663 -8.945 1.00 0.68 O ATOM 806 CB ARG A 53 8.610 -0.451 -9.499 1.00 0.83 C ATOM 807 CG ARG A 53 8.782 0.798 -8.636 1.00 1.39 C ATOM 808 CD ARG A 53 7.441 1.309 -8.127 1.00 2.19 C ATOM 809 NE ARG A 53 6.639 1.905 -9.193 1.00 2.73 N ATOM 810 CZ ARG A 53 5.364 2.253 -9.046 1.00 3.54 C ATOM 811 NH1 ARG A 53 4.755 2.078 -7.881 1.00 4.04 N ATOM 812 NH2 ARG A 53 4.696 2.780 -10.064 1.00 4.23 N ATOM 0 H ARG A 53 8.235 -3.408 -8.356 1.00 0.54 H new ATOM 0 HA ARG A 53 9.515 -2.374 -9.833 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.980 -0.232 -10.501 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.545 -0.662 -9.592 1.00 0.83 H new ATOM 0 HG2 ARG A 53 9.432 0.572 -7.791 1.00 1.39 H new ATOM 0 HG3 ARG A 53 9.274 1.578 -9.216 1.00 1.39 H new ATOM 0 HD2 ARG A 53 6.888 0.486 -7.675 1.00 2.19 H new ATOM 0 HD3 ARG A 53 7.609 2.048 -7.344 1.00 2.19 H new ATOM 0 HE ARG A 53 7.081 2.063 -10.099 1.00 2.73 H new ATOM 0 HH11 ARG A 53 5.265 1.675 -7.094 1.00 4.04 H new ATOM 0 HH12 ARG A 53 3.777 2.346 -7.771 1.00 4.04 H new ATOM 0 HH21 ARG A 53 5.160 2.919 -10.961 1.00 4.23 H new ATOM 0 HH22 ARG A 53 3.718 3.046 -9.949 1.00 4.23 H new ATOM 826 N TYR A 54 10.928 -1.912 -7.156 1.00 0.45 N ATOM 827 CA TYR A 54 12.175 -1.683 -6.446 1.00 0.41 C ATOM 828 C TYR A 54 12.157 -2.471 -5.145 1.00 0.31 C ATOM 829 O TYR A 54 11.114 -2.994 -4.751 1.00 0.28 O ATOM 830 CB TYR A 54 12.373 -0.191 -6.162 1.00 0.50 C ATOM 831 CG TYR A 54 13.539 0.417 -6.910 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.845 0.206 -6.487 1.00 1.77 C ATOM 833 CD2 TYR A 54 13.333 1.199 -8.039 1.00 1.89 C ATOM 834 CE1 TYR A 54 15.914 0.756 -7.170 1.00 2.59 C ATOM 835 CE2 TYR A 54 14.396 1.753 -8.727 1.00 2.72 C ATOM 836 CZ TYR A 54 15.683 1.529 -8.288 1.00 2.95 C ATOM 837 OH TYR A 54 16.745 2.077 -8.972 1.00 3.88 O ATOM 0 H TYR A 54 10.270 -2.511 -6.656 1.00 0.45 H new ATOM 0 HA TYR A 54 13.007 -2.018 -7.066 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.462 0.345 -6.428 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.525 -0.050 -5.092 1.00 0.50 H new ATOM 0 HD1 TYR A 54 15.029 -0.397 -5.610 1.00 1.77 H new ATOM 0 HD2 TYR A 54 12.326 1.377 -8.385 1.00 1.89 H new ATOM 0 HE1 TYR A 54 16.924 0.581 -6.830 1.00 2.59 H new ATOM 0 HE2 TYR A 54 14.219 2.358 -9.604 1.00 2.72 H new ATOM 0 HH TYR A 54 16.411 2.593 -9.736 1.00 3.88 H new ATOM 847 N ASP A 55 13.291 -2.551 -4.467 1.00 0.30 N ATOM 848 CA ASP A 55 13.347 -3.275 -3.206 1.00 0.24 C ATOM 849 C ASP A 55 13.284 -2.305 -2.032 1.00 0.23 C ATOM 850 O ASP A 55 14.107 -1.396 -1.921 1.00 0.28 O ATOM 851 CB ASP A 55 14.607 -4.139 -3.123 1.00 0.28 C ATOM 852 CG ASP A 55 15.866 -3.327 -2.878 1.00 1.01 C ATOM 853 OD1 ASP A 55 16.497 -2.897 -3.866 1.00 1.33 O ATOM 854 OD2 ASP A 55 16.219 -3.121 -1.698 1.00 1.52 O ATOM 0 H ASP A 55 14.172 -2.131 -4.762 1.00 0.30 H new ATOM 0 HA ASP A 55 12.482 -3.937 -3.157 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.489 -4.868 -2.321 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.718 -4.701 -4.051 1.00 0.28 H new ATOM 859 N GLY A 56 12.298 -2.496 -1.162 1.00 0.18 N ATOM 860 CA GLY A 56 12.151 -1.619 -0.018 1.00 0.18 C ATOM 861 C GLY A 56 11.862 -2.372 1.262 1.00 0.15 C ATOM 862 O GLY A 56 11.497 -3.541 1.230 1.00 0.15 O ATOM 0 H GLY A 56 11.602 -3.239 -1.229 1.00 0.18 H new ATOM 0 HA2 GLY A 56 13.063 -1.035 0.107 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.344 -0.912 -0.209 1.00 0.18 H new ATOM 866 N VAL A 57 12.035 -1.703 2.395 1.00 0.18 N ATOM 867 CA VAL A 57 11.799 -2.333 3.689 1.00 0.21 C ATOM 868 C VAL A 57 10.488 -1.870 4.318 1.00 0.22 C ATOM 869 O VAL A 57 10.296 -0.682 4.571 1.00 0.26 O ATOM 870 CB VAL A 57 12.951 -2.042 4.668 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.779 -2.840 5.951 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.293 -2.345 4.019 1.00 1.11 C ATOM 0 H VAL A 57 12.336 -0.730 2.445 1.00 0.18 H new ATOM 0 HA VAL A 57 11.740 -3.405 3.502 1.00 0.21 H new ATOM 0 HB VAL A 57 12.927 -0.982 4.922 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.603 -2.620 6.629 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.836 -2.568 6.425 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.774 -3.905 5.719 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.095 -2.133 4.726 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.330 -3.396 3.733 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.417 -1.723 3.133 1.00 1.11 H new ATOM 882 N ILE A 58 9.601 -2.825 4.589 1.00 0.21 N ATOM 883 CA ILE A 58 8.313 -2.533 5.212 1.00 0.24 C ATOM 884 C ILE A 58 8.395 -2.822 6.704 1.00 0.33 C ATOM 885 O ILE A 58 8.836 -3.902 7.112 1.00 0.38 O ATOM 886 CB ILE A 58 7.181 -3.360 4.575 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.319 -3.334 3.055 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.818 -2.825 4.994 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.384 -4.283 2.345 1.00 0.17 C ATOM 0 H ILE A 58 9.753 -3.813 4.385 1.00 0.21 H new ATOM 0 HA ILE A 58 8.085 -1.479 5.053 1.00 0.24 H new ATOM 0 HB ILE A 58 7.260 -4.390 4.924 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.133 -2.321 2.699 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.346 -3.582 2.788 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.034 -3.425 4.532 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.724 -2.878 6.079 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.719 -1.788 4.672 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.539 -4.209 1.269 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.584 -5.303 2.672 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.352 -4.022 2.582 1.00 0.17 H new ATOM 901 N LYS A 59 8.016 -1.835 7.513 1.00 0.40 N ATOM 902 CA LYS A 59 8.108 -1.964 8.965 1.00 0.53 C ATOM 903 C LYS A 59 6.789 -2.343 9.634 1.00 0.52 C ATOM 904 O LYS A 59 6.792 -3.092 10.612 1.00 0.61 O ATOM 905 CB LYS A 59 8.629 -0.658 9.566 1.00 0.65 C ATOM 906 CG LYS A 59 8.781 -0.702 11.076 1.00 0.83 C ATOM 907 CD LYS A 59 9.475 0.544 11.600 1.00 1.03 C ATOM 908 CE LYS A 59 9.083 0.837 13.039 1.00 1.51 C ATOM 909 NZ LYS A 59 9.891 0.045 14.008 1.00 2.14 N ATOM 0 H LYS A 59 7.644 -0.942 7.190 1.00 0.40 H new ATOM 0 HA LYS A 59 8.800 -2.784 9.157 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.595 -0.422 9.119 1.00 0.65 H new ATOM 0 HB3 LYS A 59 7.948 0.151 9.301 1.00 0.65 H new ATOM 0 HG2 LYS A 59 7.799 -0.795 11.539 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.353 -1.585 11.360 1.00 0.83 H new ATOM 0 HD2 LYS A 59 10.555 0.414 11.535 1.00 1.03 H new ATOM 0 HD3 LYS A 59 9.218 1.396 10.971 1.00 1.03 H new ATOM 0 HE2 LYS A 59 9.213 1.900 13.241 1.00 1.51 H new ATOM 0 HE3 LYS A 59 8.026 0.613 13.180 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 9.593 0.274 14.978 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 9.747 -0.970 13.832 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 10.898 0.277 13.892 1.00 2.14 H new ATOM 923 N LYS A 60 5.666 -1.828 9.145 1.00 0.44 N ATOM 924 CA LYS A 60 4.385 -2.149 9.772 1.00 0.45 C ATOM 925 C LYS A 60 3.216 -2.132 8.789 1.00 0.37 C ATOM 926 O LYS A 60 3.160 -1.314 7.873 1.00 0.53 O ATOM 927 CB LYS A 60 4.114 -1.189 10.941 1.00 0.55 C ATOM 928 CG LYS A 60 3.490 0.141 10.537 1.00 0.76 C ATOM 929 CD LYS A 60 4.398 0.928 9.606 1.00 0.51 C ATOM 930 CE LYS A 60 5.713 1.284 10.280 1.00 0.71 C ATOM 931 NZ LYS A 60 5.504 2.103 11.506 1.00 1.35 N ATOM 0 H LYS A 60 5.613 -1.204 8.340 1.00 0.44 H new ATOM 0 HA LYS A 60 4.463 -3.170 10.144 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.454 -1.683 11.654 1.00 0.55 H new ATOM 0 HB3 LYS A 60 5.053 -0.993 11.458 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.534 -0.040 10.046 1.00 0.76 H new ATOM 0 HG3 LYS A 60 3.283 0.732 11.429 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.595 0.343 8.708 1.00 0.51 H new ATOM 0 HD3 LYS A 60 3.892 1.840 9.288 1.00 0.51 H new ATOM 0 HE2 LYS A 60 6.247 0.370 10.540 1.00 0.71 H new ATOM 0 HE3 LYS A 60 6.343 1.833 9.580 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 6.412 2.508 11.812 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 4.834 2.871 11.300 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 5.120 1.502 12.263 1.00 1.35 H new ATOM 945 N LEU A 61 2.273 -3.038 9.023 1.00 0.35 N ATOM 946 CA LEU A 61 1.071 -3.158 8.210 1.00 0.37 C ATOM 947 C LEU A 61 -0.140 -3.321 9.128 1.00 0.56 C ATOM 948 O LEU A 61 -0.076 -4.054 10.115 1.00 0.94 O ATOM 949 CB LEU A 61 1.189 -4.352 7.261 1.00 0.39 C ATOM 950 CG LEU A 61 2.198 -4.180 6.121 1.00 0.33 C ATOM 951 CD1 LEU A 61 3.218 -5.305 6.139 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.481 -4.134 4.784 1.00 0.91 C ATOM 0 H LEU A 61 2.322 -3.713 9.786 1.00 0.35 H new ATOM 0 HA LEU A 61 0.948 -2.258 7.608 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.467 -5.232 7.842 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.208 -4.552 6.830 1.00 0.39 H new ATOM 0 HG LEU A 61 2.725 -3.237 6.264 1.00 0.33 H new ATOM 0 HD11 LEU A 61 3.927 -5.167 5.322 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.753 -5.296 7.089 1.00 1.14 H new ATOM 0 HD13 LEU A 61 2.708 -6.261 6.019 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.211 -4.011 3.984 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.931 -5.063 4.634 1.00 0.91 H new ATOM 0 HD23 LEU A 61 0.786 -3.295 4.773 1.00 0.91 H new ATOM 964 N TYR A 62 -1.229 -2.617 8.831 1.00 0.68 N ATOM 965 CA TYR A 62 -2.418 -2.684 9.678 1.00 0.88 C ATOM 966 C TYR A 62 -3.621 -3.307 8.968 1.00 0.75 C ATOM 967 O TYR A 62 -4.319 -4.142 9.543 1.00 0.87 O ATOM 968 CB TYR A 62 -2.781 -1.282 10.168 1.00 1.16 C ATOM 969 CG TYR A 62 -3.722 -1.274 11.352 1.00 1.24 C ATOM 970 CD1 TYR A 62 -5.097 -1.346 11.173 1.00 1.81 C ATOM 971 CD2 TYR A 62 -3.233 -1.194 12.650 1.00 1.55 C ATOM 972 CE1 TYR A 62 -5.959 -1.338 12.253 1.00 2.35 C ATOM 973 CE2 TYR A 62 -4.088 -1.185 13.735 1.00 2.07 C ATOM 974 CZ TYR A 62 -5.450 -1.258 13.532 1.00 2.38 C ATOM 975 OH TYR A 62 -6.305 -1.251 14.610 1.00 3.08 O ATOM 0 H TYR A 62 -1.314 -2.001 8.022 1.00 0.68 H new ATOM 0 HA TYR A 62 -2.173 -3.331 10.520 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.867 -0.754 10.439 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.238 -0.728 9.348 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -5.500 -1.409 10.173 1.00 1.81 H new ATOM 0 HD2 TYR A 62 -2.167 -1.138 12.813 1.00 1.55 H new ATOM 0 HE1 TYR A 62 -7.026 -1.394 12.096 1.00 2.35 H new ATOM 0 HE2 TYR A 62 -3.692 -1.121 14.738 1.00 2.07 H new ATOM 0 HH TYR A 62 -5.786 -1.191 15.439 1.00 3.08 H new ATOM 985 N TYR A 63 -3.878 -2.890 7.732 1.00 0.64 N ATOM 986 CA TYR A 63 -5.022 -3.410 6.985 1.00 0.62 C ATOM 987 C TYR A 63 -4.693 -4.724 6.286 1.00 0.63 C ATOM 988 O TYR A 63 -3.620 -4.883 5.703 1.00 0.73 O ATOM 989 CB TYR A 63 -5.506 -2.380 5.965 1.00 0.79 C ATOM 990 CG TYR A 63 -5.945 -1.078 6.593 1.00 1.02 C ATOM 991 CD1 TYR A 63 -7.260 -0.885 6.998 1.00 1.28 C ATOM 992 CD2 TYR A 63 -5.042 -0.043 6.786 1.00 1.16 C ATOM 993 CE1 TYR A 63 -7.661 0.304 7.577 1.00 1.56 C ATOM 994 CE2 TYR A 63 -5.434 1.150 7.364 1.00 1.45 C ATOM 995 CZ TYR A 63 -6.744 1.318 7.757 1.00 1.60 C ATOM 996 OH TYR A 63 -7.140 2.503 8.335 1.00 1.93 O ATOM 0 H TYR A 63 -3.318 -2.201 7.230 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.818 -3.606 7.703 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.705 -2.180 5.253 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.337 -2.801 5.400 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -7.981 -1.677 6.858 1.00 1.28 H new ATOM 0 HD2 TYR A 63 -4.014 -0.171 6.479 1.00 1.16 H new ATOM 0 HE1 TYR A 63 -8.687 0.438 7.887 1.00 1.56 H new ATOM 0 HE2 TYR A 63 -4.718 1.946 7.507 1.00 1.45 H new ATOM 0 HH TYR A 63 -6.374 3.112 8.390 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.633 -5.663 6.352 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.461 -6.969 5.731 1.00 0.67 C ATOM 1008 C ASN A 64 -6.497 -7.208 4.641 1.00 0.49 C ATOM 1009 O ASN A 64 -7.289 -6.328 4.303 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.577 -8.077 6.775 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.541 -7.951 7.874 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.346 -6.874 8.439 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -3.870 -9.054 8.185 1.00 1.03 N ATOM 0 H ASN A 64 -6.525 -5.541 6.832 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.467 -6.985 5.283 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.574 -8.053 7.216 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -5.467 -9.045 6.286 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -3.161 -9.030 8.918 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -4.064 -9.925 7.691 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.469 -8.416 4.101 1.00 0.54 N ATOM 1021 CA LEU A 65 -7.374 -8.832 3.046 1.00 0.54 C ATOM 1022 C LEU A 65 -8.843 -8.612 3.412 1.00 0.66 C ATOM 1023 O LEU A 65 -9.704 -8.573 2.533 1.00 0.77 O ATOM 1024 CB LEU A 65 -7.139 -10.312 2.758 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.936 -10.616 1.866 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.990 -11.585 2.559 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -6.395 -11.177 0.529 1.00 1.04 C ATOM 0 H LEU A 65 -5.811 -9.141 4.387 1.00 0.54 H new ATOM 0 HA LEU A 65 -7.168 -8.222 2.167 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -7.010 -10.835 3.706 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -8.033 -10.721 2.287 1.00 0.66 H new ATOM 0 HG LEU A 65 -5.398 -9.686 1.681 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -4.139 -11.790 1.909 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.637 -11.145 3.491 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -5.515 -12.516 2.774 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -5.526 -11.388 -0.095 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.956 -12.097 0.694 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -7.032 -10.448 0.028 1.00 1.04 H new ATOM 1039 N ASP A 66 -9.133 -8.496 4.704 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.511 -8.315 5.155 1.00 0.92 C ATOM 1041 C ASP A 66 -10.786 -6.889 5.628 1.00 0.87 C ATOM 1042 O ASP A 66 -11.927 -6.427 5.584 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.825 -9.298 6.284 1.00 1.12 C ATOM 1044 CG ASP A 66 -11.825 -10.359 5.867 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -11.798 -10.771 4.688 1.00 2.30 O ATOM 1046 OD2 ASP A 66 -12.636 -10.778 6.720 1.00 2.33 O ATOM 0 H ASP A 66 -8.440 -8.524 5.452 1.00 0.75 H new ATOM 0 HA ASP A 66 -11.157 -8.509 4.299 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.903 -9.780 6.609 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -11.217 -8.750 7.140 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.754 -6.201 6.096 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.918 -4.838 6.593 1.00 0.81 C ATOM 1053 C ASP A 67 -10.091 -3.832 5.458 1.00 0.69 C ATOM 1054 O ASP A 67 -9.591 -4.027 4.343 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.727 -4.438 7.462 1.00 0.92 C ATOM 1056 CG ASP A 67 -8.303 -5.545 8.408 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -9.058 -6.531 8.546 1.00 1.54 O ATOM 1058 OD2 ASP A 67 -7.216 -5.426 9.011 1.00 1.85 O ATOM 0 H ASP A 67 -8.800 -6.559 6.143 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.827 -4.823 7.194 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.887 -4.170 6.821 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.984 -3.550 8.039 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.800 -2.745 5.767 1.00 0.83 N ATOM 1064 CA ILE A 68 -11.049 -1.675 4.808 1.00 0.78 C ATOM 1065 C ILE A 68 -10.180 -0.473 5.113 1.00 0.99 C ATOM 1066 O ILE A 68 -10.060 -0.057 6.264 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.517 -1.203 4.825 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.467 -2.362 5.137 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.871 -0.552 3.494 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.566 -3.376 4.022 1.00 1.10 C ATOM 0 H ILE A 68 -11.215 -2.585 6.685 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.815 -2.088 3.827 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.632 -0.463 5.617 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -13.130 -2.863 6.045 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.460 -1.962 5.343 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.910 -0.222 3.515 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.221 0.306 3.324 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.736 -1.274 2.689 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -14.256 -4.169 4.311 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.932 -2.889 3.118 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.582 -3.803 3.831 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.593 0.095 4.076 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.756 1.264 4.237 1.00 1.34 C ATOM 1084 C ALA A 69 -9.520 2.513 3.816 1.00 1.19 C ATOM 1085 O ALA A 69 -10.382 2.456 2.926 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.470 1.108 3.441 1.00 2.16 C ATOM 0 H ALA A 69 -9.682 -0.235 3.115 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.486 1.369 5.288 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.851 1.995 3.572 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.927 0.231 3.795 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.709 0.985 2.385 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.211 3.631 4.469 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.869 4.899 4.181 1.00 1.38 C ATOM 1094 C TYR A 70 -8.970 5.797 3.339 1.00 1.17 C ATOM 1095 O TYR A 70 -7.745 5.747 3.449 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.245 5.609 5.483 1.00 1.97 C ATOM 1097 CG TYR A 70 -11.242 4.844 6.325 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -10.951 3.570 6.799 1.00 3.17 C ATOM 1099 CD2 TYR A 70 -12.476 5.396 6.647 1.00 3.47 C ATOM 1100 CE1 TYR A 70 -11.861 2.869 7.568 1.00 4.07 C ATOM 1101 CE2 TYR A 70 -13.390 4.702 7.416 1.00 4.42 C ATOM 1102 CZ TYR A 70 -13.078 3.439 7.874 1.00 4.67 C ATOM 1103 OH TYR A 70 -13.987 2.744 8.639 1.00 5.65 O ATOM 0 H TYR A 70 -8.506 3.682 5.204 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.777 4.690 3.615 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -9.341 5.778 6.069 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -10.659 6.589 5.246 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -9.998 3.120 6.562 1.00 3.17 H new ATOM 0 HD2 TYR A 70 -12.725 6.384 6.290 1.00 3.47 H new ATOM 0 HE1 TYR A 70 -11.620 1.880 7.927 1.00 4.07 H new ATOM 0 HE2 TYR A 70 -14.344 5.146 7.657 1.00 4.42 H new ATOM 0 HH TYR A 70 -14.793 3.287 8.764 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.588 6.615 2.495 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.846 7.522 1.627 1.00 2.02 C ATOM 1115 C VAL A 71 -8.533 8.836 2.335 1.00 2.00 C ATOM 1116 O VAL A 71 -9.428 9.495 2.863 1.00 2.35 O ATOM 1117 CB VAL A 71 -9.631 7.831 0.338 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -8.738 8.529 -0.675 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -10.226 6.559 -0.253 1.00 3.61 C ATOM 0 H VAL A 71 -10.601 6.669 2.393 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.914 7.017 1.372 1.00 2.02 H new ATOM 0 HB VAL A 71 -10.453 8.501 0.591 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -9.309 8.740 -1.579 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -8.370 9.464 -0.252 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -7.894 7.885 -0.921 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -10.775 6.803 -1.162 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -9.425 5.859 -0.490 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -10.904 6.104 0.470 1.00 3.61 H new ATOM 1129 N GLY A 72 -7.258 9.217 2.334 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.858 10.458 2.971 1.00 1.87 C ATOM 1131 C GLY A 72 -5.856 10.261 4.096 1.00 1.57 C ATOM 1132 O GLY A 72 -5.539 11.207 4.816 1.00 1.63 O ATOM 0 H GLY A 72 -6.498 8.690 1.905 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.426 11.120 2.221 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.743 10.957 3.365 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.355 9.038 4.254 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.387 8.750 5.309 1.00 1.09 C ATOM 1138 C LYS A 73 -3.546 7.518 4.970 1.00 0.83 C ATOM 1139 O LYS A 73 -4.078 6.497 4.533 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.109 8.534 6.640 1.00 1.27 C ATOM 1141 CG LYS A 73 -4.176 8.498 7.839 1.00 1.59 C ATOM 1142 CD LYS A 73 -3.599 9.873 8.136 1.00 1.98 C ATOM 1143 CE LYS A 73 -4.408 10.598 9.200 1.00 2.32 C ATOM 1144 NZ LYS A 73 -3.620 10.817 10.444 1.00 2.96 N ATOM 0 H LYS A 73 -5.600 8.238 3.671 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.718 9.607 5.393 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -5.839 9.331 6.782 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -5.665 7.598 6.594 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -4.717 8.133 8.712 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -3.365 7.795 7.650 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -2.566 9.771 8.469 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -3.582 10.467 7.222 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -4.743 11.559 8.809 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -5.302 10.019 9.434 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -4.207 11.314 11.144 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -3.321 9.899 10.832 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -2.780 11.391 10.227 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.215 7.592 5.174 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.309 6.471 4.894 1.00 0.64 C ATOM 1160 C PRO A 74 -1.683 5.226 5.689 1.00 0.53 C ATOM 1161 O PRO A 74 -2.374 5.312 6.704 1.00 0.75 O ATOM 1162 CB PRO A 74 0.065 6.989 5.334 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.063 8.472 5.341 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.493 8.764 5.699 1.00 0.91 C ATOM 0 HA PRO A 74 -1.344 6.173 3.846 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.331 6.612 6.322 1.00 0.77 H new ATOM 0 HB3 PRO A 74 0.847 6.664 4.648 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.619 8.919 6.064 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.188 8.890 4.366 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -1.625 8.870 6.776 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.842 9.690 5.242 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.227 4.067 5.224 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.528 2.813 5.904 1.00 0.49 C ATOM 1174 C LEU A 75 -0.265 1.998 6.182 1.00 0.46 C ATOM 1175 O LEU A 75 -0.172 1.326 7.209 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.522 1.989 5.082 1.00 0.64 C ATOM 1177 CG LEU A 75 -1.945 1.315 3.835 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -1.762 -0.179 4.067 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -2.846 1.562 2.632 1.00 1.32 C ATOM 0 H LEU A 75 -0.653 3.970 4.387 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.977 3.061 6.866 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.949 1.220 5.725 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.341 2.640 4.776 1.00 0.64 H new ATOM 0 HG LEU A 75 -0.967 1.751 3.631 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -1.351 -0.639 3.168 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -1.078 -0.337 4.901 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.726 -0.632 4.298 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.421 1.076 1.754 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -3.837 1.153 2.830 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -2.925 2.634 2.451 1.00 1.32 H new ATOM 1191 N VAL A 76 0.704 2.052 5.270 1.00 0.32 N ATOM 1192 CA VAL A 76 1.947 1.301 5.447 1.00 0.29 C ATOM 1193 C VAL A 76 3.175 2.160 5.163 1.00 0.27 C ATOM 1194 O VAL A 76 3.123 3.087 4.356 1.00 0.35 O ATOM 1195 CB VAL A 76 1.992 0.065 4.529 1.00 0.36 C ATOM 1196 CG1 VAL A 76 2.013 0.489 3.069 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.202 -0.799 4.850 1.00 0.47 C ATOM 0 H VAL A 76 0.655 2.600 4.411 1.00 0.32 H new ATOM 0 HA VAL A 76 1.965 0.985 6.490 1.00 0.29 H new ATOM 0 HB VAL A 76 1.093 -0.526 4.705 1.00 0.36 H new ATOM 0 HG11 VAL A 76 2.045 -0.396 2.434 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.115 1.065 2.844 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.894 1.103 2.881 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.215 -1.667 4.190 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.113 -0.218 4.704 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.147 -1.132 5.886 1.00 0.47 H new ATOM 1207 N ASP A 77 4.286 1.833 5.824 1.00 0.30 N ATOM 1208 CA ASP A 77 5.533 2.561 5.634 1.00 0.41 C ATOM 1209 C ASP A 77 6.596 1.635 5.051 1.00 0.38 C ATOM 1210 O ASP A 77 6.839 0.546 5.575 1.00 0.41 O ATOM 1211 CB ASP A 77 6.032 3.146 6.957 1.00 0.58 C ATOM 1212 CG ASP A 77 4.913 3.592 7.885 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.747 3.649 7.441 1.00 0.87 O ATOM 1214 OD2 ASP A 77 5.207 3.888 9.063 1.00 1.10 O ATOM 0 H ASP A 77 4.344 1.067 6.495 1.00 0.30 H new ATOM 0 HA ASP A 77 5.344 3.381 4.941 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.641 2.400 7.468 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.680 3.997 6.747 1.00 0.58 H new ATOM 1219 N ILE A 78 7.219 2.069 3.962 1.00 0.44 N ATOM 1220 CA ILE A 78 8.249 1.272 3.301 1.00 0.42 C ATOM 1221 C ILE A 78 9.412 2.148 2.866 1.00 0.41 C ATOM 1222 O ILE A 78 9.215 3.297 2.494 1.00 0.51 O ATOM 1223 CB ILE A 78 7.691 0.549 2.059 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.235 0.141 2.288 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.547 -0.661 1.716 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.246 1.199 1.853 1.00 0.86 C ATOM 0 H ILE A 78 7.030 2.967 3.517 1.00 0.44 H new ATOM 0 HA ILE A 78 8.591 0.532 4.025 1.00 0.42 H new ATOM 0 HB ILE A 78 7.723 1.236 1.213 1.00 0.42 H new ATOM 0 HG12 ILE A 78 6.033 -0.782 1.744 1.00 0.53 H new ATOM 0 HG13 ILE A 78 6.086 -0.073 3.346 1.00 0.53 H new ATOM 0 HG21 ILE A 78 8.138 -1.159 0.837 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.567 -0.338 1.508 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.550 -1.355 2.557 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.231 0.848 2.042 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.424 2.116 2.415 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.369 1.396 0.788 1.00 0.86 H new ATOM 1238 N GLU A 79 10.625 1.607 2.895 1.00 0.29 N ATOM 1239 CA GLU A 79 11.785 2.383 2.481 1.00 0.29 C ATOM 1240 C GLU A 79 12.172 2.034 1.051 1.00 0.47 C ATOM 1241 O GLU A 79 12.598 0.918 0.767 1.00 0.79 O ATOM 1242 CB GLU A 79 12.964 2.125 3.421 1.00 0.62 C ATOM 1243 CG GLU A 79 13.291 3.305 4.323 1.00 0.92 C ATOM 1244 CD GLU A 79 14.695 3.833 4.106 1.00 0.96 C ATOM 1245 OE1 GLU A 79 15.132 3.899 2.938 1.00 1.39 O ATOM 1246 OE2 GLU A 79 15.359 4.181 5.106 1.00 1.09 O ATOM 0 H GLU A 79 10.828 0.653 3.195 1.00 0.29 H new ATOM 0 HA GLU A 79 11.526 3.441 2.527 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.741 1.256 4.040 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.844 1.877 2.827 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.574 4.106 4.142 1.00 0.92 H new ATOM 0 HG3 GLU A 79 13.177 3.004 5.364 1.00 0.92 H new ATOM 1253 N THR A 80 12.020 3.004 0.159 1.00 0.64 N ATOM 1254 CA THR A 80 12.350 2.822 -1.248 1.00 1.05 C ATOM 1255 C THR A 80 12.960 4.094 -1.824 1.00 1.00 C ATOM 1256 O THR A 80 12.726 5.188 -1.311 1.00 1.22 O ATOM 1257 CB THR A 80 11.108 2.436 -2.075 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.956 3.130 -1.583 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.863 0.934 -2.019 1.00 1.18 C ATOM 0 H THR A 80 11.667 3.933 0.388 1.00 0.64 H new ATOM 0 HA THR A 80 13.074 2.009 -1.307 1.00 1.05 H new ATOM 0 HB THR A 80 11.288 2.720 -3.112 1.00 1.51 H new ATOM 0 HG1 THR A 80 9.150 2.765 -2.004 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.981 0.687 -2.610 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.729 0.409 -2.422 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.703 0.630 -0.985 1.00 1.18 H new ATOM 1267 N GLU A 81 13.732 3.954 -2.895 1.00 1.27 N ATOM 1268 CA GLU A 81 14.354 5.110 -3.528 1.00 1.30 C ATOM 1269 C GLU A 81 13.288 6.118 -3.946 1.00 1.99 C ATOM 1270 O GLU A 81 12.196 5.738 -4.367 1.00 2.56 O ATOM 1271 CB GLU A 81 15.173 4.678 -4.746 1.00 1.53 C ATOM 1272 CG GLU A 81 16.673 4.674 -4.502 1.00 1.62 C ATOM 1273 CD GLU A 81 17.359 5.897 -5.078 1.00 2.40 C ATOM 1274 OE1 GLU A 81 16.664 6.735 -5.690 1.00 2.85 O ATOM 1275 OE2 GLU A 81 18.592 6.017 -4.918 1.00 3.13 O ATOM 0 H GLU A 81 13.941 3.060 -3.340 1.00 1.27 H new ATOM 0 HA GLU A 81 15.023 5.580 -2.807 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.860 3.678 -5.047 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.951 5.346 -5.578 1.00 1.53 H new ATOM 0 HG2 GLU A 81 16.863 4.626 -3.430 1.00 1.62 H new ATOM 0 HG3 GLU A 81 17.107 3.777 -4.943 1.00 1.62 H new ATOM 1282 N ALA A 82 13.604 7.404 -3.813 1.00 2.01 N ATOM 1283 CA ALA A 82 12.666 8.471 -4.164 1.00 2.67 C ATOM 1284 C ALA A 82 11.905 8.165 -5.454 1.00 3.02 C ATOM 1285 O ALA A 82 12.480 8.173 -6.543 1.00 3.10 O ATOM 1286 CB ALA A 82 13.402 9.796 -4.292 1.00 2.85 C ATOM 0 H ALA A 82 14.504 7.734 -3.464 1.00 2.01 H new ATOM 0 HA ALA A 82 11.933 8.539 -3.360 1.00 2.67 H new ATOM 0 HB1 ALA A 82 12.693 10.582 -4.553 1.00 2.85 H new ATOM 0 HB2 ALA A 82 13.880 10.040 -3.343 1.00 2.85 H new ATOM 0 HB3 ALA A 82 14.160 9.717 -5.071 1.00 2.85 H new ATOM 1292 N LEU A 83 10.608 7.904 -5.320 1.00 3.31 N ATOM 1293 CA LEU A 83 9.761 7.605 -6.470 1.00 3.73 C ATOM 1294 C LEU A 83 8.682 8.671 -6.632 1.00 4.31 C ATOM 1295 O LEU A 83 8.055 9.087 -5.657 1.00 4.31 O ATOM 1296 CB LEU A 83 9.113 6.225 -6.320 1.00 3.56 C ATOM 1297 CG LEU A 83 10.046 5.030 -6.548 1.00 3.51 C ATOM 1298 CD1 LEU A 83 9.240 3.756 -6.750 1.00 3.49 C ATOM 1299 CD2 LEU A 83 10.960 5.276 -7.741 1.00 3.60 C ATOM 0 H LEU A 83 10.120 7.894 -4.424 1.00 3.31 H new ATOM 0 HA LEU A 83 10.389 7.602 -7.361 1.00 3.73 H new ATOM 0 HB2 LEU A 83 8.691 6.148 -5.318 1.00 3.56 H new ATOM 0 HB3 LEU A 83 8.282 6.155 -7.022 1.00 3.56 H new ATOM 0 HG LEU A 83 10.668 4.911 -5.661 1.00 3.51 H new ATOM 0 HD11 LEU A 83 9.918 2.918 -6.910 1.00 3.49 H new ATOM 0 HD12 LEU A 83 8.632 3.566 -5.866 1.00 3.49 H new ATOM 0 HD13 LEU A 83 8.592 3.870 -7.619 1.00 3.49 H new ATOM 0 HD21 LEU A 83 11.613 4.415 -7.883 1.00 3.60 H new ATOM 0 HD22 LEU A 83 10.357 5.426 -8.637 1.00 3.60 H new ATOM 0 HD23 LEU A 83 11.566 6.164 -7.558 1.00 3.60 H new