USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 759 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 126 ASN : amide:sc= -0.964! C(o=-0.96!,f=-0.91!) USER MOD Set 1.2: A 127 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 98 SER OG : rot 11:sc= 0.214 USER MOD Set 2.2: A 107 HIS : no HD1:sc= -0.317 X(o=-0.1,f=-0.39) USER MOD Set 3.1: A 75 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 166:sc= -0.0303 (180deg=-0.167) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -2.46! C(o=-2.5!,f=-7.3!) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -2.63 F(o=-5.8!,f=-2.6) USER MOD Single : A 88 SER OG : rot 147:sc= -0.113 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 24:sc= 0.151 USER MOD Single : A 103 ASN : amide:sc= 0.367 K(o=0.37,f=-2.2!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.496 F(o=-2.2,f=-0.5) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN :FLIP amide:sc= -1.72! C(o=-4.8!,f=-1.7!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= -0.303 K(o=-0.3,f=-1.6) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 93:sc= 0.311 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 73:sc= 0.16 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 153 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 0.135 -1.280 -3.604 1.00 25.32 N ATOM 2 CA TRP A 60 1.056 -1.817 -2.608 1.00 31.12 C ATOM 3 C TRP A 60 1.714 -3.098 -3.109 1.00 42.42 C ATOM 4 O TRP A 60 2.903 -3.111 -3.430 1.00 73.54 O ATOM 5 CB TRP A 60 0.318 -2.088 -1.296 1.00 24.25 C ATOM 6 CG TRP A 60 1.205 -2.014 -0.089 1.00 41.05 C ATOM 7 CD1 TRP A 60 1.144 -1.093 0.917 1.00 45.21 C ATOM 8 CD2 TRP A 60 2.286 -2.895 0.235 1.00 42.11 C ATOM 9 NE1 TRP A 60 2.123 -1.348 1.847 1.00 12.04 N ATOM 10 CE2 TRP A 60 2.836 -2.449 1.453 1.00 41.24 C ATOM 11 CE3 TRP A 60 2.842 -4.018 -0.383 1.00 73.15 C ATOM 12 CZ2 TRP A 60 3.914 -3.087 2.060 1.00 0.13 C ATOM 13 CZ3 TRP A 60 3.912 -4.650 0.221 1.00 72.22 C ATOM 14 CH2 TRP A 60 4.438 -4.184 1.433 1.00 63.12 C ATOM 0 HA TRP A 60 1.835 -1.075 -2.433 1.00 31.12 H new ATOM 0 HB2 TRP A 60 -0.492 -1.367 -1.187 1.00 24.25 H new ATOM 0 HB3 TRP A 60 -0.139 -3.076 -1.342 1.00 24.25 H new ATOM 0 HD1 TRP A 60 0.431 -0.283 0.974 1.00 45.21 H new ATOM 0 HE1 TRP A 60 2.291 -0.805 2.694 1.00 12.04 H new ATOM 0 HE3 TRP A 60 2.442 -4.386 -1.317 1.00 73.15 H new ATOM 0 HZ2 TRP A 60 4.322 -2.728 2.993 1.00 0.13 H new ATOM 0 HZ3 TRP A 60 4.350 -5.518 -0.249 1.00 72.22 H new ATOM 0 HH2 TRP A 60 5.274 -4.701 1.881 1.00 63.12 H new ATOM 25 N PHE A 61 0.935 -4.172 -3.174 1.00 61.24 N ATOM 26 CA PHE A 61 1.444 -5.458 -3.636 1.00 74.45 C ATOM 27 C PHE A 61 0.565 -6.023 -4.749 1.00 41.42 C ATOM 28 O PHE A 61 -0.630 -5.736 -4.818 1.00 13.34 O ATOM 29 CB PHE A 61 1.514 -6.451 -2.474 1.00 14.42 C ATOM 30 CG PHE A 61 1.396 -7.885 -2.902 1.00 70.43 C ATOM 31 CD1 PHE A 61 2.334 -8.447 -3.753 1.00 60.22 C ATOM 32 CD2 PHE A 61 0.347 -8.672 -2.455 1.00 31.05 C ATOM 33 CE1 PHE A 61 2.229 -9.767 -4.149 1.00 70.42 C ATOM 34 CE2 PHE A 61 0.237 -9.993 -2.847 1.00 11.33 C ATOM 35 CZ PHE A 61 1.178 -10.541 -3.696 1.00 43.30 C ATOM 0 H PHE A 61 -0.051 -4.178 -2.913 1.00 61.24 H new ATOM 0 HA PHE A 61 2.447 -5.301 -4.032 1.00 74.45 H new ATOM 0 HB2 PHE A 61 2.458 -6.314 -1.946 1.00 14.42 H new ATOM 0 HB3 PHE A 61 0.717 -6.225 -1.765 1.00 14.42 H new ATOM 0 HD1 PHE A 61 3.157 -7.846 -4.111 1.00 60.22 H new ATOM 0 HD2 PHE A 61 -0.393 -8.248 -1.793 1.00 31.05 H new ATOM 0 HE1 PHE A 61 2.968 -10.193 -4.812 1.00 70.42 H new ATOM 0 HE2 PHE A 61 -0.584 -10.596 -2.489 1.00 11.33 H new ATOM 0 HZ PHE A 61 1.093 -11.572 -4.005 1.00 43.30 H new ATOM 45 N PHE A 62 1.167 -6.826 -5.620 1.00 33.42 N ATOM 46 CA PHE A 62 0.441 -7.430 -6.731 1.00 33.20 C ATOM 47 C PHE A 62 0.791 -8.909 -6.870 1.00 12.11 C ATOM 48 O PHE A 62 1.960 -9.289 -6.820 1.00 51.30 O ATOM 49 CB PHE A 62 0.758 -6.695 -8.035 1.00 14.22 C ATOM 50 CG PHE A 62 -0.004 -5.410 -8.199 1.00 25.42 C ATOM 51 CD1 PHE A 62 0.185 -4.360 -7.315 1.00 32.31 C ATOM 52 CD2 PHE A 62 -0.908 -5.254 -9.237 1.00 1.52 C ATOM 53 CE1 PHE A 62 -0.514 -3.177 -7.463 1.00 43.22 C ATOM 54 CE2 PHE A 62 -1.609 -4.072 -9.390 1.00 60.44 C ATOM 55 CZ PHE A 62 -1.413 -3.033 -8.502 1.00 24.31 C ATOM 0 H PHE A 62 2.156 -7.074 -5.578 1.00 33.42 H new ATOM 0 HA PHE A 62 -0.626 -7.345 -6.524 1.00 33.20 H new ATOM 0 HB2 PHE A 62 1.826 -6.482 -8.072 1.00 14.22 H new ATOM 0 HB3 PHE A 62 0.534 -7.351 -8.876 1.00 14.22 H new ATOM 0 HD1 PHE A 62 0.887 -4.467 -6.501 1.00 32.31 H new ATOM 0 HD2 PHE A 62 -1.067 -6.064 -9.934 1.00 1.52 H new ATOM 0 HE1 PHE A 62 -0.358 -2.366 -6.767 1.00 43.22 H new ATOM 0 HE2 PHE A 62 -2.310 -3.961 -10.204 1.00 60.44 H new ATOM 0 HZ PHE A 62 -1.961 -2.110 -8.619 1.00 24.31 H new ATOM 65 N GLY A 63 -0.233 -9.740 -7.044 1.00 42.40 N ATOM 66 CA GLY A 63 -0.014 -11.167 -7.187 1.00 24.13 C ATOM 67 C GLY A 63 0.902 -11.500 -8.348 1.00 1.12 C ATOM 68 O GLY A 63 2.088 -11.169 -8.328 1.00 71.12 O ATOM 0 H GLY A 63 -1.210 -9.450 -7.088 1.00 42.40 H new ATOM 0 HA2 GLY A 63 0.415 -11.560 -6.265 1.00 24.13 H new ATOM 0 HA3 GLY A 63 -0.973 -11.666 -7.330 1.00 24.13 H new ATOM 72 N LYS A 64 0.353 -12.158 -9.363 1.00 34.22 N ATOM 73 CA LYS A 64 1.127 -12.537 -10.539 1.00 22.25 C ATOM 74 C LYS A 64 0.849 -11.590 -11.702 1.00 24.24 C ATOM 75 O LYS A 64 -0.123 -11.764 -12.437 1.00 1.02 O ATOM 76 CB LYS A 64 0.800 -13.975 -10.948 1.00 41.14 C ATOM 77 CG LYS A 64 0.753 -14.945 -9.780 1.00 43.34 C ATOM 78 CD LYS A 64 2.139 -15.456 -9.424 1.00 62.24 C ATOM 79 CE LYS A 64 2.311 -15.599 -7.920 1.00 2.11 C ATOM 80 NZ LYS A 64 1.975 -16.972 -7.451 1.00 0.30 N ATOM 0 H LYS A 64 -0.627 -12.440 -9.395 1.00 34.22 H new ATOM 0 HA LYS A 64 2.185 -12.470 -10.284 1.00 22.25 H new ATOM 0 HB2 LYS A 64 -0.163 -13.988 -11.459 1.00 41.14 H new ATOM 0 HB3 LYS A 64 1.546 -14.318 -11.665 1.00 41.14 H new ATOM 0 HG2 LYS A 64 0.312 -14.452 -8.914 1.00 43.34 H new ATOM 0 HG3 LYS A 64 0.107 -15.787 -10.030 1.00 43.34 H new ATOM 0 HD2 LYS A 64 2.307 -16.420 -9.904 1.00 62.24 H new ATOM 0 HD3 LYS A 64 2.892 -14.771 -9.814 1.00 62.24 H new ATOM 0 HE2 LYS A 64 3.340 -15.364 -7.648 1.00 2.11 H new ATOM 0 HE3 LYS A 64 1.674 -14.875 -7.411 1.00 2.11 H new ATOM 0 HZ1 LYS A 64 2.105 -17.028 -6.421 1.00 0.30 H new ATOM 0 HZ2 LYS A 64 0.985 -17.187 -7.687 1.00 0.30 H new ATOM 0 HZ3 LYS A 64 2.600 -17.661 -7.917 1.00 0.30 H new ATOM 94 N ILE A 65 1.709 -10.590 -11.863 1.00 24.23 N ATOM 95 CA ILE A 65 1.557 -9.618 -12.938 1.00 62.10 C ATOM 96 C ILE A 65 2.895 -9.328 -13.610 1.00 52.12 C ATOM 97 O ILE A 65 3.931 -9.199 -12.958 1.00 13.15 O ATOM 98 CB ILE A 65 0.957 -8.297 -12.422 1.00 5.12 C ATOM 99 CG1 ILE A 65 1.964 -7.569 -11.529 1.00 4.11 C ATOM 100 CG2 ILE A 65 -0.335 -8.562 -11.665 1.00 32.03 C ATOM 101 CD1 ILE A 65 2.575 -6.347 -12.178 1.00 51.34 C ATOM 0 H ILE A 65 2.518 -10.432 -11.263 1.00 24.23 H new ATOM 0 HA ILE A 65 0.875 -10.057 -13.666 1.00 62.10 H new ATOM 0 HB ILE A 65 0.730 -7.660 -13.277 1.00 5.12 H new ATOM 0 HG12 ILE A 65 1.469 -7.270 -10.605 1.00 4.11 H new ATOM 0 HG13 ILE A 65 2.760 -8.261 -11.254 1.00 4.11 H new ATOM 0 HG21 ILE A 65 -0.747 -7.619 -11.307 1.00 32.03 H new ATOM 0 HG22 ILE A 65 -1.054 -9.043 -12.329 1.00 32.03 H new ATOM 0 HG23 ILE A 65 -0.132 -9.215 -10.816 1.00 32.03 H new ATOM 0 HD11 ILE A 65 3.279 -5.882 -11.488 1.00 51.34 H new ATOM 0 HD12 ILE A 65 3.099 -6.642 -13.087 1.00 51.34 H new ATOM 0 HD13 ILE A 65 1.788 -5.636 -12.428 1.00 51.34 H new ATOM 113 N PRO A 66 2.874 -9.221 -14.947 1.00 42.41 N ATOM 114 CA PRO A 66 4.077 -8.942 -15.737 1.00 51.24 C ATOM 115 C PRO A 66 4.588 -7.520 -15.533 1.00 50.32 C ATOM 116 O PRO A 66 3.807 -6.597 -15.298 1.00 23.45 O ATOM 117 CB PRO A 66 3.606 -9.139 -17.181 1.00 5.23 C ATOM 118 CG PRO A 66 2.139 -8.886 -17.139 1.00 31.14 C ATOM 119 CD PRO A 66 1.675 -9.363 -15.790 1.00 2.31 C ATOM 0 HA PRO A 66 4.909 -9.586 -15.453 1.00 51.24 H new ATOM 0 HB2 PRO A 66 4.108 -8.448 -17.859 1.00 5.23 H new ATOM 0 HB3 PRO A 66 3.824 -10.147 -17.534 1.00 5.23 H new ATOM 0 HG2 PRO A 66 1.922 -7.826 -17.274 1.00 31.14 H new ATOM 0 HG3 PRO A 66 1.628 -9.421 -17.939 1.00 31.14 H new ATOM 0 HD2 PRO A 66 0.846 -8.762 -15.415 1.00 2.31 H new ATOM 0 HD3 PRO A 66 1.329 -10.396 -15.826 1.00 2.31 H new ATOM 127 N ARG A 67 5.903 -7.349 -15.626 1.00 32.34 N ATOM 128 CA ARG A 67 6.518 -6.039 -15.450 1.00 74.11 C ATOM 129 C ARG A 67 5.745 -4.969 -16.216 1.00 31.02 C ATOM 130 O ARG A 67 5.700 -3.809 -15.806 1.00 60.44 O ATOM 131 CB ARG A 67 7.973 -6.068 -15.921 1.00 52.32 C ATOM 132 CG ARG A 67 8.123 -6.225 -17.426 1.00 10.45 C ATOM 133 CD ARG A 67 9.410 -5.588 -17.926 1.00 61.23 C ATOM 134 NE ARG A 67 10.494 -5.709 -16.955 1.00 63.44 N ATOM 135 CZ ARG A 67 11.733 -5.287 -17.181 1.00 3.21 C ATOM 136 NH1 ARG A 67 12.043 -4.718 -18.338 1.00 21.02 N ATOM 137 NH2 ARG A 67 12.665 -5.432 -16.248 1.00 24.32 N ATOM 0 H ARG A 67 6.563 -8.102 -15.822 1.00 32.34 H new ATOM 0 HA ARG A 67 6.492 -5.792 -14.389 1.00 74.11 H new ATOM 0 HB2 ARG A 67 8.465 -5.147 -15.609 1.00 52.32 H new ATOM 0 HB3 ARG A 67 8.490 -6.889 -15.425 1.00 52.32 H new ATOM 0 HG2 ARG A 67 8.115 -7.284 -17.685 1.00 10.45 H new ATOM 0 HG3 ARG A 67 7.270 -5.767 -17.928 1.00 10.45 H new ATOM 0 HD2 ARG A 67 9.708 -6.060 -18.862 1.00 61.23 H new ATOM 0 HD3 ARG A 67 9.233 -4.534 -18.142 1.00 61.23 H new ATOM 0 HE ARG A 67 10.289 -6.141 -16.054 1.00 63.44 H new ATOM 0 HH11 ARG A 67 11.329 -4.603 -19.057 1.00 21.02 H new ATOM 0 HH12 ARG A 67 12.995 -4.395 -18.508 1.00 21.02 H new ATOM 0 HH21 ARG A 67 12.430 -5.868 -15.356 1.00 24.32 H new ATOM 0 HH22 ARG A 67 13.616 -5.108 -16.423 1.00 24.32 H new ATOM 151 N ALA A 68 5.139 -5.367 -17.329 1.00 74.24 N ATOM 152 CA ALA A 68 4.367 -4.443 -18.151 1.00 72.32 C ATOM 153 C ALA A 68 3.143 -3.931 -17.400 1.00 32.13 C ATOM 154 O ALA A 68 2.924 -2.724 -17.298 1.00 11.22 O ATOM 155 CB ALA A 68 3.948 -5.116 -19.450 1.00 52.10 C ATOM 0 H ALA A 68 5.167 -6.323 -17.683 1.00 74.24 H new ATOM 0 HA ALA A 68 5.001 -3.588 -18.385 1.00 72.32 H new ATOM 0 HB1 ALA A 68 3.372 -4.415 -20.054 1.00 52.10 H new ATOM 0 HB2 ALA A 68 4.835 -5.427 -20.002 1.00 52.10 H new ATOM 0 HB3 ALA A 68 3.336 -5.990 -19.226 1.00 52.10 H new ATOM 161 N LYS A 69 2.347 -4.856 -16.875 1.00 35.40 N ATOM 162 CA LYS A 69 1.144 -4.499 -16.132 1.00 31.52 C ATOM 163 C LYS A 69 1.465 -3.503 -15.023 1.00 5.13 C ATOM 164 O LYS A 69 0.768 -2.504 -14.852 1.00 13.22 O ATOM 165 CB LYS A 69 0.498 -5.752 -15.535 1.00 52.11 C ATOM 166 CG LYS A 69 -0.994 -5.854 -15.804 1.00 44.21 C ATOM 167 CD LYS A 69 -1.280 -6.652 -17.065 1.00 24.11 C ATOM 168 CE LYS A 69 -2.396 -7.661 -16.845 1.00 14.14 C ATOM 169 NZ LYS A 69 -2.600 -8.532 -18.035 1.00 51.33 N ATOM 0 H LYS A 69 2.513 -5.860 -16.950 1.00 35.40 H new ATOM 0 HA LYS A 69 0.445 -4.031 -16.825 1.00 31.52 H new ATOM 0 HB2 LYS A 69 0.993 -6.634 -15.941 1.00 52.11 H new ATOM 0 HB3 LYS A 69 0.666 -5.759 -14.458 1.00 52.11 H new ATOM 0 HG2 LYS A 69 -1.486 -6.326 -14.954 1.00 44.21 H new ATOM 0 HG3 LYS A 69 -1.416 -4.854 -15.902 1.00 44.21 H new ATOM 0 HD2 LYS A 69 -1.556 -5.973 -17.872 1.00 24.11 H new ATOM 0 HD3 LYS A 69 -0.375 -7.172 -17.381 1.00 24.11 H new ATOM 0 HE2 LYS A 69 -2.161 -8.279 -15.979 1.00 14.14 H new ATOM 0 HE3 LYS A 69 -3.323 -7.134 -16.618 1.00 14.14 H new ATOM 0 HZ1 LYS A 69 -3.369 -9.206 -17.844 1.00 51.33 H new ATOM 0 HZ2 LYS A 69 -2.850 -7.945 -18.856 1.00 51.33 H new ATOM 0 HZ3 LYS A 69 -1.724 -9.055 -18.237 1.00 51.33 H new ATOM 183 N ALA A 70 2.527 -3.781 -14.273 1.00 32.22 N ATOM 184 CA ALA A 70 2.942 -2.907 -13.183 1.00 24.12 C ATOM 185 C ALA A 70 3.106 -1.469 -13.664 1.00 31.41 C ATOM 186 O ALA A 70 2.498 -0.550 -13.117 1.00 53.02 O ATOM 187 CB ALA A 70 4.240 -3.411 -12.568 1.00 12.31 C ATOM 0 H ALA A 70 3.115 -4.605 -14.401 1.00 32.22 H new ATOM 0 HA ALA A 70 2.162 -2.921 -12.422 1.00 24.12 H new ATOM 0 HB1 ALA A 70 4.539 -2.749 -11.755 1.00 12.31 H new ATOM 0 HB2 ALA A 70 4.091 -4.419 -12.179 1.00 12.31 H new ATOM 0 HB3 ALA A 70 5.021 -3.427 -13.328 1.00 12.31 H new ATOM 193 N GLU A 71 3.931 -1.283 -14.689 1.00 64.52 N ATOM 194 CA GLU A 71 4.175 0.044 -15.242 1.00 21.31 C ATOM 195 C GLU A 71 2.861 0.744 -15.575 1.00 52.02 C ATOM 196 O GLU A 71 2.746 1.962 -15.447 1.00 14.30 O ATOM 197 CB GLU A 71 5.046 -0.054 -16.496 1.00 40.12 C ATOM 198 CG GLU A 71 6.383 -0.735 -16.257 1.00 42.32 C ATOM 199 CD GLU A 71 7.083 -1.114 -17.547 1.00 65.35 C ATOM 200 OE1 GLU A 71 7.573 -0.204 -18.247 1.00 44.34 O ATOM 201 OE2 GLU A 71 7.142 -2.323 -17.857 1.00 15.12 O ATOM 0 H GLU A 71 4.442 -2.034 -15.153 1.00 64.52 H new ATOM 0 HA GLU A 71 4.700 0.633 -14.490 1.00 21.31 H new ATOM 0 HB2 GLU A 71 4.501 -0.602 -17.265 1.00 40.12 H new ATOM 0 HB3 GLU A 71 5.223 0.949 -16.884 1.00 40.12 H new ATOM 0 HG2 GLU A 71 7.027 -0.071 -15.680 1.00 42.32 H new ATOM 0 HG3 GLU A 71 6.228 -1.631 -15.655 1.00 42.32 H new ATOM 208 N GLU A 72 1.874 -0.036 -16.004 1.00 75.11 N ATOM 209 CA GLU A 72 0.568 0.510 -16.357 1.00 62.53 C ATOM 210 C GLU A 72 -0.187 0.963 -15.111 1.00 41.53 C ATOM 211 O GLU A 72 -0.857 1.995 -15.121 1.00 14.32 O ATOM 212 CB GLU A 72 -0.257 -0.533 -17.116 1.00 3.55 C ATOM 213 CG GLU A 72 0.200 -0.745 -18.549 1.00 24.11 C ATOM 214 CD GLU A 72 -0.516 0.162 -19.530 1.00 44.52 C ATOM 215 OE1 GLU A 72 -1.722 0.417 -19.332 1.00 43.51 O ATOM 216 OE2 GLU A 72 0.131 0.618 -20.497 1.00 23.13 O ATOM 0 H GLU A 72 1.953 -1.047 -16.116 1.00 75.11 H new ATOM 0 HA GLU A 72 0.726 1.376 -17.000 1.00 62.53 H new ATOM 0 HB2 GLU A 72 -0.206 -1.482 -16.583 1.00 3.55 H new ATOM 0 HB3 GLU A 72 -1.303 -0.225 -17.119 1.00 3.55 H new ATOM 0 HG2 GLU A 72 1.274 -0.568 -18.614 1.00 24.11 H new ATOM 0 HG3 GLU A 72 0.030 -1.784 -18.830 1.00 24.11 H new ATOM 223 N MET A 73 -0.073 0.184 -14.041 1.00 3.32 N ATOM 224 CA MET A 73 -0.744 0.506 -12.787 1.00 2.23 C ATOM 225 C MET A 73 -0.263 1.847 -12.241 1.00 42.13 C ATOM 226 O MET A 73 -1.037 2.603 -11.653 1.00 10.21 O ATOM 227 CB MET A 73 -0.498 -0.596 -11.754 1.00 45.52 C ATOM 228 CG MET A 73 -1.033 -1.954 -12.176 1.00 64.31 C ATOM 229 SD MET A 73 -2.812 -1.940 -12.470 1.00 4.35 S ATOM 230 CE MET A 73 -2.859 -1.859 -14.258 1.00 50.42 C ATOM 0 H MET A 73 0.477 -0.674 -14.017 1.00 3.32 H new ATOM 0 HA MET A 73 -1.814 0.577 -12.985 1.00 2.23 H new ATOM 0 HB2 MET A 73 0.573 -0.678 -11.570 1.00 45.52 H new ATOM 0 HB3 MET A 73 -0.962 -0.309 -10.811 1.00 45.52 H new ATOM 0 HG2 MET A 73 -0.521 -2.276 -13.083 1.00 64.31 H new ATOM 0 HG3 MET A 73 -0.802 -2.687 -11.403 1.00 64.31 H new ATOM 0 HE1 MET A 73 -3.865 -2.092 -14.606 1.00 50.42 H new ATOM 0 HE2 MET A 73 -2.585 -0.856 -14.584 1.00 50.42 H new ATOM 0 HE3 MET A 73 -2.155 -2.580 -14.674 1.00 50.42 H new ATOM 240 N LEU A 74 1.018 2.136 -12.440 1.00 5.03 N ATOM 241 CA LEU A 74 1.603 3.386 -11.967 1.00 51.43 C ATOM 242 C LEU A 74 1.354 4.514 -12.963 1.00 51.44 C ATOM 243 O LEU A 74 0.914 5.601 -12.588 1.00 55.14 O ATOM 244 CB LEU A 74 3.106 3.215 -11.738 1.00 53.44 C ATOM 245 CG LEU A 74 3.534 1.933 -11.024 1.00 2.21 C ATOM 246 CD1 LEU A 74 5.041 1.749 -11.116 1.00 71.21 C ATOM 247 CD2 LEU A 74 3.086 1.958 -9.570 1.00 31.41 C ATOM 0 H LEU A 74 1.672 1.522 -12.926 1.00 5.03 H new ATOM 0 HA LEU A 74 1.126 3.647 -11.023 1.00 51.43 H new ATOM 0 HB2 LEU A 74 3.607 3.253 -12.705 1.00 53.44 H new ATOM 0 HB3 LEU A 74 3.464 4.066 -11.159 1.00 53.44 H new ATOM 0 HG LEU A 74 3.054 1.087 -11.517 1.00 2.21 H new ATOM 0 HD11 LEU A 74 5.328 0.831 -10.602 1.00 71.21 H new ATOM 0 HD12 LEU A 74 5.337 1.686 -12.163 1.00 71.21 H new ATOM 0 HD13 LEU A 74 5.540 2.598 -10.648 1.00 71.21 H new ATOM 0 HD21 LEU A 74 3.399 1.038 -9.077 1.00 31.41 H new ATOM 0 HD22 LEU A 74 3.537 2.812 -9.065 1.00 31.41 H new ATOM 0 HD23 LEU A 74 2.000 2.042 -9.525 1.00 31.41 H new ATOM 259 N SER A 75 1.637 4.248 -14.234 1.00 73.25 N ATOM 260 CA SER A 75 1.445 5.241 -15.285 1.00 31.02 C ATOM 261 C SER A 75 0.036 5.824 -15.231 1.00 30.24 C ATOM 262 O SER A 75 -0.160 7.024 -15.423 1.00 34.00 O ATOM 263 CB SER A 75 1.698 4.617 -16.658 1.00 64.04 C ATOM 264 OG SER A 75 1.644 5.596 -17.681 1.00 43.33 O ATOM 0 H SER A 75 2.000 3.353 -14.561 1.00 73.25 H new ATOM 0 HA SER A 75 2.160 6.048 -15.123 1.00 31.02 H new ATOM 0 HB2 SER A 75 2.674 4.132 -16.666 1.00 64.04 H new ATOM 0 HB3 SER A 75 0.955 3.843 -16.852 1.00 64.04 H new ATOM 0 HG SER A 75 1.810 5.172 -18.549 1.00 43.33 H new ATOM 270 N LYS A 76 -0.943 4.965 -14.967 1.00 60.11 N ATOM 271 CA LYS A 76 -2.335 5.392 -14.886 1.00 22.23 C ATOM 272 C LYS A 76 -2.536 6.374 -13.736 1.00 73.01 C ATOM 273 O LYS A 76 -3.476 7.169 -13.745 1.00 61.42 O ATOM 274 CB LYS A 76 -3.251 4.180 -14.702 1.00 14.21 C ATOM 275 CG LYS A 76 -3.041 3.453 -13.385 1.00 72.43 C ATOM 276 CD LYS A 76 -4.309 2.752 -12.927 1.00 32.02 C ATOM 277 CE LYS A 76 -4.336 1.298 -13.374 1.00 43.51 C ATOM 278 NZ LYS A 76 -5.727 0.788 -13.518 1.00 31.43 N ATOM 0 H LYS A 76 -0.798 3.968 -14.805 1.00 60.11 H new ATOM 0 HA LYS A 76 -2.591 5.895 -15.819 1.00 22.23 H new ATOM 0 HB2 LYS A 76 -4.289 4.507 -14.765 1.00 14.21 H new ATOM 0 HB3 LYS A 76 -3.086 3.482 -15.523 1.00 14.21 H new ATOM 0 HG2 LYS A 76 -2.240 2.722 -13.495 1.00 72.43 H new ATOM 0 HG3 LYS A 76 -2.721 4.164 -12.623 1.00 72.43 H new ATOM 0 HD2 LYS A 76 -4.381 2.801 -11.840 1.00 32.02 H new ATOM 0 HD3 LYS A 76 -5.179 3.273 -13.328 1.00 32.02 H new ATOM 0 HE2 LYS A 76 -3.813 1.201 -14.326 1.00 43.51 H new ATOM 0 HE3 LYS A 76 -3.798 0.686 -12.651 1.00 43.51 H new ATOM 0 HZ1 LYS A 76 -5.702 -0.206 -13.824 1.00 31.43 H new ATOM 0 HZ2 LYS A 76 -6.218 0.857 -12.604 1.00 31.43 H new ATOM 0 HZ3 LYS A 76 -6.233 1.356 -14.227 1.00 31.43 H new ATOM 292 N GLN A 77 -1.648 6.314 -12.750 1.00 25.33 N ATOM 293 CA GLN A 77 -1.729 7.199 -11.594 1.00 3.11 C ATOM 294 C GLN A 77 -1.537 8.654 -12.008 1.00 51.24 C ATOM 295 O GLN A 77 -1.293 8.950 -13.178 1.00 61.54 O ATOM 296 CB GLN A 77 -0.678 6.810 -10.553 1.00 2.55 C ATOM 297 CG GLN A 77 -0.735 5.346 -10.147 1.00 52.44 C ATOM 298 CD GLN A 77 -1.933 5.029 -9.274 1.00 1.00 C ATOM 299 OE1 GLN A 77 -2.610 5.930 -8.778 1.00 75.23 O ATOM 300 NE2 GLN A 77 -2.201 3.743 -9.081 1.00 22.13 N ATOM 0 H GLN A 77 -0.864 5.662 -12.728 1.00 25.33 H new ATOM 0 HA GLN A 77 -2.721 7.093 -11.156 1.00 3.11 H new ATOM 0 HB2 GLN A 77 0.313 7.030 -10.950 1.00 2.55 H new ATOM 0 HB3 GLN A 77 -0.811 7.430 -9.666 1.00 2.55 H new ATOM 0 HG2 GLN A 77 -0.768 4.726 -11.043 1.00 52.44 H new ATOM 0 HG3 GLN A 77 0.178 5.085 -9.613 1.00 52.44 H new ATOM 0 HE21 GLN A 77 -1.613 3.029 -9.512 1.00 22.13 H new ATOM 0 HE22 GLN A 77 -2.995 3.469 -8.502 1.00 22.13 H new ATOM 309 N ARG A 78 -1.650 9.559 -11.042 1.00 1.41 N ATOM 310 CA ARG A 78 -1.491 10.984 -11.307 1.00 44.10 C ATOM 311 C ARG A 78 -0.281 11.544 -10.564 1.00 32.43 C ATOM 312 O ARG A 78 0.433 12.405 -11.078 1.00 63.42 O ATOM 313 CB ARG A 78 -2.752 11.745 -10.896 1.00 13.22 C ATOM 314 CG ARG A 78 -4.042 11.013 -11.230 1.00 25.34 C ATOM 315 CD ARG A 78 -4.351 11.080 -12.717 1.00 32.31 C ATOM 316 NE ARG A 78 -5.747 11.427 -12.970 1.00 40.03 N ATOM 317 CZ ARG A 78 -6.273 11.518 -14.187 1.00 24.32 C ATOM 318 NH1 ARG A 78 -5.522 11.287 -15.256 1.00 14.45 N ATOM 319 NH2 ARG A 78 -7.551 11.839 -14.336 1.00 74.22 N ATOM 0 H ARG A 78 -1.851 9.331 -10.068 1.00 1.41 H new ATOM 0 HA ARG A 78 -1.330 11.113 -12.377 1.00 44.10 H new ATOM 0 HB2 ARG A 78 -2.719 11.934 -9.823 1.00 13.22 H new ATOM 0 HB3 ARG A 78 -2.757 12.716 -11.390 1.00 13.22 H new ATOM 0 HG2 ARG A 78 -3.961 9.971 -10.921 1.00 25.34 H new ATOM 0 HG3 ARG A 78 -4.866 11.450 -10.666 1.00 25.34 H new ATOM 0 HD2 ARG A 78 -3.703 11.818 -13.189 1.00 32.31 H new ATOM 0 HD3 ARG A 78 -4.127 10.118 -13.178 1.00 32.31 H new ATOM 0 HE ARG A 78 -6.351 11.609 -12.169 1.00 40.03 H new ATOM 0 HH11 ARG A 78 -4.539 11.039 -15.145 1.00 14.45 H new ATOM 0 HH12 ARG A 78 -5.928 11.357 -16.189 1.00 14.45 H new ATOM 0 HH21 ARG A 78 -8.131 12.016 -13.516 1.00 74.22 H new ATOM 0 HH22 ARG A 78 -7.954 11.909 -15.271 1.00 74.22 H new ATOM 333 N HIS A 79 -0.058 11.049 -9.350 1.00 60.02 N ATOM 334 CA HIS A 79 1.065 11.499 -8.536 1.00 1.43 C ATOM 335 C HIS A 79 2.391 11.050 -9.143 1.00 11.34 C ATOM 336 O HIS A 79 2.433 10.552 -10.268 1.00 34.04 O ATOM 337 CB HIS A 79 0.936 10.963 -7.110 1.00 32.02 C ATOM 338 CG HIS A 79 -0.481 10.739 -6.680 1.00 54.22 C ATOM 339 ND1 HIS A 79 -1.618 11.402 -6.998 1.00 31.42 N flip ATOM 340 CD2 HIS A 79 -0.856 9.731 -5.818 1.00 0.21 C flip ATOM 341 CE1 HIS A 79 -2.648 10.788 -6.330 1.00 30.21 C flip ATOM 342 NE2 HIS A 79 -2.162 9.782 -5.625 1.00 32.35 N flip ATOM 0 H HIS A 79 -0.640 10.337 -8.909 1.00 60.02 H new ATOM 0 HA HIS A 79 1.048 12.589 -8.509 1.00 1.43 H new ATOM 0 HB2 HIS A 79 1.483 10.023 -7.033 1.00 32.02 H new ATOM 0 HB3 HIS A 79 1.409 11.665 -6.423 1.00 32.02 H new ATOM 0 HD1 HIS A 79 -1.695 12.208 -7.619 1.00 31.42 H new ATOM 0 HD2 HIS A 79 -0.187 9.012 -5.370 1.00 0.21 H new ATOM 0 HE1 HIS A 79 -3.687 11.080 -6.374 1.00 30.21 H new ATOM 350 N ASP A 80 3.471 11.231 -8.391 1.00 22.21 N ATOM 351 CA ASP A 80 4.799 10.844 -8.855 1.00 13.05 C ATOM 352 C ASP A 80 5.540 10.052 -7.782 1.00 13.45 C ATOM 353 O ASP A 80 5.866 10.581 -6.720 1.00 2.32 O ATOM 354 CB ASP A 80 5.608 12.083 -9.242 1.00 72.43 C ATOM 355 CG ASP A 80 4.963 12.866 -10.369 1.00 0.13 C ATOM 356 OD1 ASP A 80 4.757 12.284 -11.454 1.00 34.44 O ATOM 357 OD2 ASP A 80 4.666 14.062 -10.166 1.00 13.13 O ATOM 0 H ASP A 80 3.453 11.643 -7.458 1.00 22.21 H new ATOM 0 HA ASP A 80 4.680 10.209 -9.733 1.00 13.05 H new ATOM 0 HB2 ASP A 80 5.717 12.729 -8.371 1.00 72.43 H new ATOM 0 HB3 ASP A 80 6.611 11.780 -9.542 1.00 72.43 H new ATOM 362 N GLY A 81 5.801 8.780 -8.066 1.00 44.23 N ATOM 363 CA GLY A 81 6.501 7.936 -7.116 1.00 32.15 C ATOM 364 C GLY A 81 5.683 6.728 -6.702 1.00 3.45 C ATOM 365 O GLY A 81 5.911 6.151 -5.639 1.00 14.54 O ATOM 0 H GLY A 81 5.540 8.319 -8.938 1.00 44.23 H new ATOM 0 HA2 GLY A 81 7.441 7.602 -7.555 1.00 32.15 H new ATOM 0 HA3 GLY A 81 6.753 8.521 -6.231 1.00 32.15 H new ATOM 369 N ALA A 82 4.728 6.346 -7.542 1.00 52.24 N ATOM 370 CA ALA A 82 3.874 5.200 -7.258 1.00 71.42 C ATOM 371 C ALA A 82 4.699 3.928 -7.096 1.00 20.54 C ATOM 372 O ALA A 82 5.458 3.550 -7.988 1.00 70.54 O ATOM 373 CB ALA A 82 2.842 5.024 -8.362 1.00 35.21 C ATOM 0 H ALA A 82 4.526 6.814 -8.426 1.00 52.24 H new ATOM 0 HA ALA A 82 3.356 5.389 -6.318 1.00 71.42 H new ATOM 0 HB1 ALA A 82 2.211 4.164 -8.137 1.00 35.21 H new ATOM 0 HB2 ALA A 82 2.224 5.920 -8.429 1.00 35.21 H new ATOM 0 HB3 ALA A 82 3.350 4.862 -9.313 1.00 35.21 H new ATOM 379 N PHE A 83 4.546 3.271 -5.950 1.00 44.13 N ATOM 380 CA PHE A 83 5.279 2.042 -5.670 1.00 61.21 C ATOM 381 C PHE A 83 4.372 0.823 -5.812 1.00 54.34 C ATOM 382 O PHE A 83 3.190 0.871 -5.466 1.00 65.32 O ATOM 383 CB PHE A 83 5.874 2.087 -4.261 1.00 54.20 C ATOM 384 CG PHE A 83 4.991 1.465 -3.218 1.00 32.45 C ATOM 385 CD1 PHE A 83 4.902 0.087 -3.099 1.00 74.11 C ATOM 386 CD2 PHE A 83 4.251 2.257 -2.355 1.00 33.22 C ATOM 387 CE1 PHE A 83 4.089 -0.488 -2.140 1.00 63.42 C ATOM 388 CE2 PHE A 83 3.437 1.687 -1.394 1.00 30.04 C ATOM 389 CZ PHE A 83 3.357 0.312 -1.286 1.00 1.53 C ATOM 0 H PHE A 83 3.921 3.569 -5.201 1.00 44.13 H new ATOM 0 HA PHE A 83 6.088 1.958 -6.396 1.00 61.21 H new ATOM 0 HB2 PHE A 83 6.836 1.574 -4.265 1.00 54.20 H new ATOM 0 HB3 PHE A 83 6.068 3.125 -3.990 1.00 54.20 H new ATOM 0 HD1 PHE A 83 5.474 -0.544 -3.763 1.00 74.11 H new ATOM 0 HD2 PHE A 83 4.311 3.332 -2.434 1.00 33.22 H new ATOM 0 HE1 PHE A 83 4.027 -1.563 -2.059 1.00 63.42 H new ATOM 0 HE2 PHE A 83 2.864 2.316 -0.728 1.00 30.04 H new ATOM 0 HZ PHE A 83 2.723 -0.136 -0.535 1.00 1.53 H new ATOM 399 N LEU A 84 4.932 -0.267 -6.325 1.00 35.04 N ATOM 400 CA LEU A 84 4.174 -1.499 -6.514 1.00 31.31 C ATOM 401 C LEU A 84 5.101 -2.711 -6.535 1.00 13.53 C ATOM 402 O LEU A 84 5.914 -2.866 -7.446 1.00 24.13 O ATOM 403 CB LEU A 84 3.372 -1.434 -7.815 1.00 45.42 C ATOM 404 CG LEU A 84 2.841 -2.766 -8.344 1.00 32.21 C ATOM 405 CD1 LEU A 84 1.607 -2.545 -9.205 1.00 43.34 C ATOM 406 CD2 LEU A 84 3.919 -3.496 -9.131 1.00 63.12 C ATOM 0 H LEU A 84 5.908 -0.323 -6.617 1.00 35.04 H new ATOM 0 HA LEU A 84 3.486 -1.605 -5.675 1.00 31.31 H new ATOM 0 HB2 LEU A 84 2.526 -0.763 -7.664 1.00 45.42 H new ATOM 0 HB3 LEU A 84 4.001 -0.986 -8.584 1.00 45.42 H new ATOM 0 HG LEU A 84 2.559 -3.386 -7.493 1.00 32.21 H new ATOM 0 HD11 LEU A 84 1.243 -3.504 -9.573 1.00 43.34 H new ATOM 0 HD12 LEU A 84 0.829 -2.066 -8.610 1.00 43.34 H new ATOM 0 HD13 LEU A 84 1.863 -1.906 -10.050 1.00 43.34 H new ATOM 0 HD21 LEU A 84 3.523 -4.442 -9.500 1.00 63.12 H new ATOM 0 HD22 LEU A 84 4.233 -2.881 -9.974 1.00 63.12 H new ATOM 0 HD23 LEU A 84 4.775 -3.689 -8.484 1.00 63.12 H new ATOM 418 N ILE A 85 4.970 -3.566 -5.527 1.00 21.24 N ATOM 419 CA ILE A 85 5.794 -4.765 -5.431 1.00 74.24 C ATOM 420 C ILE A 85 5.079 -5.972 -6.031 1.00 2.33 C ATOM 421 O ILE A 85 3.989 -6.340 -5.594 1.00 74.12 O ATOM 422 CB ILE A 85 6.167 -5.077 -3.970 1.00 72.32 C ATOM 423 CG1 ILE A 85 6.875 -3.879 -3.335 1.00 22.12 C ATOM 424 CG2 ILE A 85 7.046 -6.317 -3.901 1.00 40.03 C ATOM 425 CD1 ILE A 85 7.267 -4.105 -1.891 1.00 43.24 C ATOM 0 H ILE A 85 4.301 -3.451 -4.765 1.00 21.24 H new ATOM 0 HA ILE A 85 6.706 -4.568 -5.995 1.00 74.24 H new ATOM 0 HB ILE A 85 5.252 -5.273 -3.410 1.00 72.32 H new ATOM 0 HG12 ILE A 85 7.769 -3.647 -3.914 1.00 22.12 H new ATOM 0 HG13 ILE A 85 6.222 -3.008 -3.394 1.00 22.12 H new ATOM 0 HG21 ILE A 85 7.301 -6.525 -2.862 1.00 40.03 H new ATOM 0 HG22 ILE A 85 6.508 -7.168 -4.320 1.00 40.03 H new ATOM 0 HG23 ILE A 85 7.959 -6.148 -4.472 1.00 40.03 H new ATOM 0 HD11 ILE A 85 7.764 -3.215 -1.505 1.00 43.24 H new ATOM 0 HD12 ILE A 85 6.374 -4.307 -1.299 1.00 43.24 H new ATOM 0 HD13 ILE A 85 7.945 -4.956 -1.827 1.00 43.24 H new ATOM 437 N ARG A 86 5.702 -6.584 -7.032 1.00 64.21 N ATOM 438 CA ARG A 86 5.127 -7.750 -7.691 1.00 75.22 C ATOM 439 C ARG A 86 5.886 -9.019 -7.313 1.00 51.33 C ATOM 440 O ARG A 86 7.088 -8.979 -7.055 1.00 23.41 O ATOM 441 CB ARG A 86 5.145 -7.565 -9.210 1.00 21.33 C ATOM 442 CG ARG A 86 6.485 -7.091 -9.749 1.00 73.31 C ATOM 443 CD ARG A 86 6.491 -5.589 -9.983 1.00 52.34 C ATOM 444 NE ARG A 86 6.934 -5.247 -11.332 1.00 44.12 N ATOM 445 CZ ARG A 86 8.203 -5.299 -11.724 1.00 14.41 C ATOM 446 NH1 ARG A 86 9.147 -5.677 -10.874 1.00 45.12 N ATOM 447 NH2 ARG A 86 8.528 -4.972 -12.968 1.00 73.13 N ATOM 0 H ARG A 86 6.605 -6.292 -7.405 1.00 64.21 H new ATOM 0 HA ARG A 86 4.095 -7.852 -7.356 1.00 75.22 H new ATOM 0 HB2 ARG A 86 4.885 -8.511 -9.686 1.00 21.33 H new ATOM 0 HB3 ARG A 86 4.375 -6.845 -9.489 1.00 21.33 H new ATOM 0 HG2 ARG A 86 7.275 -7.354 -9.046 1.00 73.31 H new ATOM 0 HG3 ARG A 86 6.706 -7.607 -10.684 1.00 73.31 H new ATOM 0 HD2 ARG A 86 5.489 -5.193 -9.819 1.00 52.34 H new ATOM 0 HD3 ARG A 86 7.146 -5.111 -9.254 1.00 52.34 H new ATOM 0 HE ARG A 86 6.231 -4.952 -12.010 1.00 44.12 H new ATOM 0 HH11 ARG A 86 8.900 -5.929 -9.917 1.00 45.12 H new ATOM 0 HH12 ARG A 86 10.120 -5.716 -11.177 1.00 45.12 H new ATOM 0 HH21 ARG A 86 7.804 -4.680 -13.624 1.00 73.13 H new ATOM 0 HH22 ARG A 86 9.502 -5.012 -13.268 1.00 73.13 H new ATOM 461 N GLU A 87 5.174 -10.141 -7.283 1.00 25.31 N ATOM 462 CA GLU A 87 5.782 -11.421 -6.935 1.00 51.51 C ATOM 463 C GLU A 87 5.989 -12.280 -8.179 1.00 23.34 C ATOM 464 O GLU A 87 5.145 -12.309 -9.074 1.00 64.12 O ATOM 465 CB GLU A 87 4.908 -12.167 -5.925 1.00 60.42 C ATOM 466 CG GLU A 87 5.501 -13.489 -5.467 1.00 63.12 C ATOM 467 CD GLU A 87 4.467 -14.410 -4.850 1.00 72.31 C ATOM 468 OE1 GLU A 87 3.360 -13.930 -4.530 1.00 13.04 O ATOM 469 OE2 GLU A 87 4.765 -15.612 -4.688 1.00 60.22 O ATOM 0 H GLU A 87 4.177 -10.190 -7.495 1.00 25.31 H new ATOM 0 HA GLU A 87 6.755 -11.223 -6.486 1.00 51.51 H new ATOM 0 HB2 GLU A 87 4.747 -11.530 -5.055 1.00 60.42 H new ATOM 0 HB3 GLU A 87 3.930 -12.352 -6.370 1.00 60.42 H new ATOM 0 HG2 GLU A 87 5.966 -13.988 -6.317 1.00 63.12 H new ATOM 0 HG3 GLU A 87 6.290 -13.296 -4.740 1.00 63.12 H new ATOM 476 N SER A 88 7.119 -12.979 -8.226 1.00 20.11 N ATOM 477 CA SER A 88 7.441 -13.836 -9.361 1.00 34.42 C ATOM 478 C SER A 88 6.314 -14.830 -9.627 1.00 70.14 C ATOM 479 O SER A 88 5.575 -15.205 -8.717 1.00 64.25 O ATOM 480 CB SER A 88 8.749 -14.588 -9.105 1.00 54.41 C ATOM 481 OG SER A 88 9.744 -14.212 -10.041 1.00 72.04 O ATOM 0 H SER A 88 7.827 -12.969 -7.491 1.00 20.11 H new ATOM 0 HA SER A 88 7.560 -13.203 -10.240 1.00 34.42 H new ATOM 0 HB2 SER A 88 9.099 -14.381 -8.094 1.00 54.41 H new ATOM 0 HB3 SER A 88 8.573 -15.662 -9.168 1.00 54.41 H new ATOM 0 HG SER A 88 10.625 -14.243 -9.612 1.00 72.04 H new ATOM 487 N GLU A 89 6.190 -15.252 -10.882 1.00 54.40 N ATOM 488 CA GLU A 89 5.153 -16.201 -11.269 1.00 13.00 C ATOM 489 C GLU A 89 5.515 -17.614 -10.822 1.00 71.41 C ATOM 490 O GLU A 89 4.769 -18.252 -10.079 1.00 72.55 O ATOM 491 CB GLU A 89 4.943 -16.171 -12.784 1.00 72.53 C ATOM 492 CG GLU A 89 4.753 -14.772 -13.345 1.00 71.23 C ATOM 493 CD GLU A 89 3.530 -14.661 -14.235 1.00 31.40 C ATOM 494 OE1 GLU A 89 2.430 -15.039 -13.782 1.00 34.33 O ATOM 495 OE2 GLU A 89 3.674 -14.196 -15.385 1.00 71.11 O ATOM 0 H GLU A 89 6.794 -14.952 -11.647 1.00 54.40 H new ATOM 0 HA GLU A 89 4.226 -15.909 -10.776 1.00 13.00 H new ATOM 0 HB2 GLU A 89 5.801 -16.635 -13.270 1.00 72.53 H new ATOM 0 HB3 GLU A 89 4.070 -16.775 -13.033 1.00 72.53 H new ATOM 0 HG2 GLU A 89 4.664 -14.063 -12.522 1.00 71.23 H new ATOM 0 HG3 GLU A 89 5.639 -14.489 -13.914 1.00 71.23 H new ATOM 502 N SER A 90 6.665 -18.097 -11.281 1.00 23.23 N ATOM 503 CA SER A 90 7.125 -19.436 -10.933 1.00 23.45 C ATOM 504 C SER A 90 8.264 -19.373 -9.919 1.00 31.21 C ATOM 505 O SER A 90 9.047 -20.314 -9.789 1.00 41.54 O ATOM 506 CB SER A 90 7.585 -20.183 -12.186 1.00 54.15 C ATOM 507 OG SER A 90 6.497 -20.837 -12.818 1.00 3.24 O ATOM 0 H SER A 90 7.295 -17.581 -11.895 1.00 23.23 H new ATOM 0 HA SER A 90 6.290 -19.974 -10.484 1.00 23.45 H new ATOM 0 HB2 SER A 90 8.046 -19.482 -12.882 1.00 54.15 H new ATOM 0 HB3 SER A 90 8.347 -20.915 -11.918 1.00 54.15 H new ATOM 0 HG SER A 90 6.817 -21.306 -13.617 1.00 3.24 H new ATOM 513 N ALA A 91 8.348 -18.257 -9.202 1.00 64.13 N ATOM 514 CA ALA A 91 9.389 -18.071 -8.199 1.00 10.32 C ATOM 515 C ALA A 91 8.801 -17.564 -6.886 1.00 62.01 C ATOM 516 O ALA A 91 8.855 -16.375 -6.572 1.00 1.21 O ATOM 517 CB ALA A 91 10.450 -17.108 -8.711 1.00 14.51 C ATOM 0 H ALA A 91 7.708 -17.469 -9.297 1.00 64.13 H new ATOM 0 HA ALA A 91 9.854 -19.039 -8.010 1.00 10.32 H new ATOM 0 HB1 ALA A 91 11.221 -16.979 -7.951 1.00 14.51 H new ATOM 0 HB2 ALA A 91 10.899 -17.511 -9.619 1.00 14.51 H new ATOM 0 HB3 ALA A 91 9.991 -16.144 -8.930 1.00 14.51 H new ATOM 523 N PRO A 92 8.225 -18.486 -6.100 1.00 41.40 N ATOM 524 CA PRO A 92 7.616 -18.155 -4.808 1.00 73.14 C ATOM 525 C PRO A 92 8.653 -17.768 -3.760 1.00 42.42 C ATOM 526 O PRO A 92 9.393 -18.615 -3.262 1.00 41.11 O ATOM 527 CB PRO A 92 6.909 -19.452 -4.407 1.00 61.42 C ATOM 528 CG PRO A 92 7.659 -20.527 -5.116 1.00 53.13 C ATOM 529 CD PRO A 92 8.125 -19.921 -6.411 1.00 73.44 C ATOM 0 HA PRO A 92 6.950 -17.295 -4.880 1.00 73.14 H new ATOM 0 HB2 PRO A 92 6.933 -19.599 -3.327 1.00 61.42 H new ATOM 0 HB3 PRO A 92 5.860 -19.439 -4.704 1.00 61.42 H new ATOM 0 HG2 PRO A 92 8.504 -20.872 -4.520 1.00 53.13 H new ATOM 0 HG3 PRO A 92 7.022 -21.393 -5.297 1.00 53.13 H new ATOM 0 HD2 PRO A 92 9.085 -20.332 -6.724 1.00 73.44 H new ATOM 0 HD3 PRO A 92 7.418 -20.109 -7.220 1.00 73.44 H new ATOM 537 N GLY A 93 8.701 -16.481 -3.429 1.00 44.42 N ATOM 538 CA GLY A 93 9.652 -16.004 -2.441 1.00 53.14 C ATOM 539 C GLY A 93 10.435 -14.799 -2.925 1.00 30.44 C ATOM 540 O GLY A 93 11.065 -14.101 -2.130 1.00 41.14 O ATOM 0 H GLY A 93 8.099 -15.760 -3.827 1.00 44.42 H new ATOM 0 HA2 GLY A 93 9.121 -15.744 -1.525 1.00 53.14 H new ATOM 0 HA3 GLY A 93 10.345 -16.807 -2.191 1.00 53.14 H new ATOM 544 N ASP A 94 10.397 -14.556 -4.230 1.00 65.30 N ATOM 545 CA ASP A 94 11.110 -13.428 -4.818 1.00 71.14 C ATOM 546 C ASP A 94 10.226 -12.185 -4.852 1.00 60.24 C ATOM 547 O ASP A 94 9.083 -12.236 -5.307 1.00 11.12 O ATOM 548 CB ASP A 94 11.578 -13.775 -6.233 1.00 4.35 C ATOM 549 CG ASP A 94 12.554 -12.754 -6.786 1.00 31.53 C ATOM 550 OD1 ASP A 94 13.290 -12.142 -5.984 1.00 40.51 O ATOM 551 OD2 ASP A 94 12.582 -12.570 -8.020 1.00 52.42 O ATOM 0 H ASP A 94 9.880 -15.125 -4.901 1.00 65.30 H new ATOM 0 HA ASP A 94 11.981 -13.216 -4.197 1.00 71.14 H new ATOM 0 HB2 ASP A 94 12.050 -14.758 -6.226 1.00 4.35 H new ATOM 0 HB3 ASP A 94 10.713 -13.841 -6.893 1.00 4.35 H new ATOM 556 N PHE A 95 10.763 -11.070 -4.368 1.00 33.32 N ATOM 557 CA PHE A 95 10.022 -9.814 -4.341 1.00 21.44 C ATOM 558 C PHE A 95 10.704 -8.762 -5.210 1.00 73.14 C ATOM 559 O PHE A 95 11.925 -8.610 -5.177 1.00 52.11 O ATOM 560 CB PHE A 95 9.897 -9.302 -2.904 1.00 64.22 C ATOM 561 CG PHE A 95 8.912 -10.076 -2.075 1.00 44.23 C ATOM 562 CD1 PHE A 95 7.558 -9.793 -2.142 1.00 74.44 C ATOM 563 CD2 PHE A 95 9.341 -11.085 -1.228 1.00 63.15 C ATOM 564 CE1 PHE A 95 6.648 -10.504 -1.381 1.00 44.43 C ATOM 565 CE2 PHE A 95 8.437 -11.799 -0.465 1.00 52.03 C ATOM 566 CZ PHE A 95 7.089 -11.507 -0.541 1.00 31.12 C ATOM 0 H PHE A 95 11.708 -11.010 -3.989 1.00 33.32 H new ATOM 0 HA PHE A 95 9.025 -10.000 -4.741 1.00 21.44 H new ATOM 0 HB2 PHE A 95 10.875 -9.345 -2.425 1.00 64.22 H new ATOM 0 HB3 PHE A 95 9.598 -8.254 -2.925 1.00 64.22 H new ATOM 0 HD1 PHE A 95 7.209 -9.008 -2.796 1.00 74.44 H new ATOM 0 HD2 PHE A 95 10.394 -11.316 -1.163 1.00 63.15 H new ATOM 0 HE1 PHE A 95 5.594 -10.275 -1.444 1.00 44.43 H new ATOM 0 HE2 PHE A 95 8.784 -12.584 0.190 1.00 52.03 H new ATOM 0 HZ PHE A 95 6.381 -12.063 0.056 1.00 31.12 H new ATOM 576 N SER A 96 9.905 -8.039 -5.989 1.00 2.22 N ATOM 577 CA SER A 96 10.431 -7.004 -6.871 1.00 53.42 C ATOM 578 C SER A 96 9.578 -5.741 -6.796 1.00 35.01 C ATOM 579 O SER A 96 8.378 -5.771 -7.073 1.00 14.14 O ATOM 580 CB SER A 96 10.484 -7.512 -8.313 1.00 53.33 C ATOM 581 OG SER A 96 9.438 -8.434 -8.568 1.00 1.21 O ATOM 0 H SER A 96 8.892 -8.151 -6.027 1.00 2.22 H new ATOM 0 HA SER A 96 11.441 -6.760 -6.542 1.00 53.42 H new ATOM 0 HB2 SER A 96 10.407 -6.670 -9.001 1.00 53.33 H new ATOM 0 HB3 SER A 96 11.446 -7.989 -8.499 1.00 53.33 H new ATOM 0 HG SER A 96 8.706 -8.282 -7.935 1.00 1.21 H new ATOM 587 N LEU A 97 10.205 -4.632 -6.420 1.00 21.44 N ATOM 588 CA LEU A 97 9.505 -3.357 -6.307 1.00 71.53 C ATOM 589 C LEU A 97 9.554 -2.591 -7.625 1.00 70.33 C ATOM 590 O LEU A 97 10.508 -2.717 -8.393 1.00 30.31 O ATOM 591 CB LEU A 97 10.119 -2.513 -5.190 1.00 2.52 C ATOM 592 CG LEU A 97 9.582 -1.087 -5.053 1.00 62.34 C ATOM 593 CD1 LEU A 97 8.174 -1.100 -4.480 1.00 31.24 C ATOM 594 CD2 LEU A 97 10.507 -0.250 -4.183 1.00 4.15 C ATOM 0 H LEU A 97 11.197 -4.590 -6.188 1.00 21.44 H new ATOM 0 HA LEU A 97 8.462 -3.563 -6.066 1.00 71.53 H new ATOM 0 HB2 LEU A 97 9.964 -3.031 -4.243 1.00 2.52 H new ATOM 0 HB3 LEU A 97 11.196 -2.460 -5.352 1.00 2.52 H new ATOM 0 HG LEU A 97 9.544 -0.637 -6.045 1.00 62.34 H new ATOM 0 HD11 LEU A 97 7.808 -0.077 -4.390 1.00 31.24 H new ATOM 0 HD12 LEU A 97 7.517 -1.663 -5.143 1.00 31.24 H new ATOM 0 HD13 LEU A 97 8.186 -1.569 -3.496 1.00 31.24 H new ATOM 0 HD21 LEU A 97 10.109 0.761 -4.097 1.00 4.15 H new ATOM 0 HD22 LEU A 97 10.578 -0.698 -3.192 1.00 4.15 H new ATOM 0 HD23 LEU A 97 11.498 -0.213 -4.636 1.00 4.15 H new ATOM 606 N SER A 98 8.520 -1.795 -7.880 1.00 63.40 N ATOM 607 CA SER A 98 8.445 -1.009 -9.106 1.00 73.50 C ATOM 608 C SER A 98 7.949 0.404 -8.815 1.00 64.05 C ATOM 609 O SER A 98 6.772 0.614 -8.526 1.00 14.35 O ATOM 610 CB SER A 98 7.518 -1.689 -10.116 1.00 63.12 C ATOM 611 OG SER A 98 7.751 -1.205 -11.427 1.00 54.35 O ATOM 0 H SER A 98 7.723 -1.678 -7.254 1.00 63.40 H new ATOM 0 HA SER A 98 9.447 -0.944 -9.529 1.00 73.50 H new ATOM 0 HB2 SER A 98 7.675 -2.767 -10.090 1.00 63.12 H new ATOM 0 HB3 SER A 98 6.479 -1.511 -9.838 1.00 63.12 H new ATOM 0 HG SER A 98 8.566 -0.661 -11.435 1.00 54.35 H new ATOM 617 N VAL A 99 8.858 1.371 -8.895 1.00 62.24 N ATOM 618 CA VAL A 99 8.515 2.765 -8.642 1.00 42.24 C ATOM 619 C VAL A 99 8.609 3.594 -9.918 1.00 44.42 C ATOM 620 O VAL A 99 9.606 3.534 -10.639 1.00 54.32 O ATOM 621 CB VAL A 99 9.434 3.384 -7.572 1.00 71.21 C ATOM 622 CG1 VAL A 99 9.926 4.753 -8.017 1.00 62.51 C ATOM 623 CG2 VAL A 99 8.709 3.477 -6.238 1.00 23.43 C ATOM 0 H VAL A 99 9.837 1.214 -9.133 1.00 62.24 H new ATOM 0 HA VAL A 99 7.487 2.777 -8.279 1.00 42.24 H new ATOM 0 HB VAL A 99 10.302 2.737 -7.444 1.00 71.21 H new ATOM 0 HG11 VAL A 99 10.574 5.174 -7.248 1.00 62.51 H new ATOM 0 HG12 VAL A 99 10.484 4.654 -8.948 1.00 62.51 H new ATOM 0 HG13 VAL A 99 9.073 5.413 -8.174 1.00 62.51 H new ATOM 0 HG21 VAL A 99 9.372 3.916 -5.493 1.00 23.43 H new ATOM 0 HG22 VAL A 99 7.823 4.102 -6.348 1.00 23.43 H new ATOM 0 HG23 VAL A 99 8.412 2.479 -5.915 1.00 23.43 H new ATOM 633 N LYS A 100 7.566 4.370 -10.192 1.00 34.42 N ATOM 634 CA LYS A 100 7.529 5.214 -11.380 1.00 25.00 C ATOM 635 C LYS A 100 8.327 6.496 -11.161 1.00 61.42 C ATOM 636 O LYS A 100 8.227 7.129 -10.110 1.00 54.34 O ATOM 637 CB LYS A 100 6.083 5.557 -11.743 1.00 70.35 C ATOM 638 CG LYS A 100 5.962 6.530 -12.903 1.00 55.02 C ATOM 639 CD LYS A 100 4.942 6.056 -13.925 1.00 31.50 C ATOM 640 CE LYS A 100 4.748 7.077 -15.035 1.00 12.43 C ATOM 641 NZ LYS A 100 4.889 6.464 -16.384 1.00 42.13 N ATOM 0 H LYS A 100 6.733 4.432 -9.606 1.00 34.42 H new ATOM 0 HA LYS A 100 7.982 4.660 -12.203 1.00 25.00 H new ATOM 0 HB2 LYS A 100 5.552 4.638 -11.993 1.00 70.35 H new ATOM 0 HB3 LYS A 100 5.589 5.983 -10.870 1.00 70.35 H new ATOM 0 HG2 LYS A 100 5.673 7.511 -12.527 1.00 55.02 H new ATOM 0 HG3 LYS A 100 6.933 6.647 -13.384 1.00 55.02 H new ATOM 0 HD2 LYS A 100 5.269 5.109 -14.354 1.00 31.50 H new ATOM 0 HD3 LYS A 100 3.989 5.870 -13.430 1.00 31.50 H new ATOM 0 HE2 LYS A 100 3.761 7.530 -14.943 1.00 12.43 H new ATOM 0 HE3 LYS A 100 5.478 7.879 -14.922 1.00 12.43 H new ATOM 0 HZ1 LYS A 100 4.750 7.193 -17.113 1.00 42.13 H new ATOM 0 HZ2 LYS A 100 5.840 6.054 -16.481 1.00 42.13 H new ATOM 0 HZ3 LYS A 100 4.176 5.716 -16.502 1.00 42.13 H new ATOM 655 N PHE A 101 9.118 6.873 -12.160 1.00 62.41 N ATOM 656 CA PHE A 101 9.933 8.079 -12.077 1.00 13.43 C ATOM 657 C PHE A 101 9.797 8.916 -13.345 1.00 53.14 C ATOM 658 O PHE A 101 10.418 8.622 -14.366 1.00 34.22 O ATOM 659 CB PHE A 101 11.401 7.714 -11.848 1.00 11.42 C ATOM 660 CG PHE A 101 11.718 7.372 -10.420 1.00 71.12 C ATOM 661 CD1 PHE A 101 11.298 8.194 -9.387 1.00 32.21 C ATOM 662 CD2 PHE A 101 12.437 6.228 -10.112 1.00 13.24 C ATOM 663 CE1 PHE A 101 11.587 7.881 -8.072 1.00 45.30 C ATOM 664 CE2 PHE A 101 12.729 5.910 -8.799 1.00 0.43 C ATOM 665 CZ PHE A 101 12.305 6.739 -7.778 1.00 20.42 C ATOM 0 H PHE A 101 9.212 6.360 -13.037 1.00 62.41 H new ATOM 0 HA PHE A 101 9.577 8.670 -11.233 1.00 13.43 H new ATOM 0 HB2 PHE A 101 11.659 6.866 -12.482 1.00 11.42 H new ATOM 0 HB3 PHE A 101 12.028 8.549 -12.161 1.00 11.42 H new ATOM 0 HD1 PHE A 101 10.738 9.090 -9.612 1.00 32.21 H new ATOM 0 HD2 PHE A 101 12.773 5.578 -10.906 1.00 13.24 H new ATOM 0 HE1 PHE A 101 11.252 8.529 -7.276 1.00 45.30 H new ATOM 0 HE2 PHE A 101 13.288 5.014 -8.571 1.00 0.43 H new ATOM 0 HZ PHE A 101 12.535 6.494 -6.752 1.00 20.42 H new ATOM 675 N GLY A 102 8.978 9.962 -13.273 1.00 22.40 N ATOM 676 CA GLY A 102 8.774 10.825 -14.422 1.00 22.15 C ATOM 677 C GLY A 102 8.032 10.129 -15.545 1.00 53.11 C ATOM 678 O GLY A 102 6.830 9.887 -15.447 1.00 34.01 O ATOM 0 H GLY A 102 8.453 10.227 -12.440 1.00 22.40 H new ATOM 0 HA2 GLY A 102 8.215 11.709 -14.114 1.00 22.15 H new ATOM 0 HA3 GLY A 102 9.740 11.171 -14.789 1.00 22.15 H new ATOM 682 N ASN A 103 8.749 9.808 -16.617 1.00 3.31 N ATOM 683 CA ASN A 103 8.150 9.138 -17.765 1.00 41.23 C ATOM 684 C ASN A 103 8.768 7.759 -17.974 1.00 44.20 C ATOM 685 O ASN A 103 8.632 7.162 -19.042 1.00 20.42 O ATOM 686 CB ASN A 103 8.328 9.986 -19.027 1.00 22.43 C ATOM 687 CG ASN A 103 9.424 11.023 -18.876 1.00 52.31 C ATOM 688 OD1 ASN A 103 10.522 10.719 -18.410 1.00 42.55 O ATOM 689 ND2 ASN A 103 9.129 12.257 -19.270 1.00 74.55 N ATOM 0 H ASN A 103 9.746 10.001 -16.714 1.00 3.31 H new ATOM 0 HA ASN A 103 7.086 9.013 -17.566 1.00 41.23 H new ATOM 0 HB2 ASN A 103 8.561 9.335 -19.869 1.00 22.43 H new ATOM 0 HB3 ASN A 103 7.388 10.486 -19.261 1.00 22.43 H new ATOM 0 HD21 ASN A 103 9.826 12.998 -19.192 1.00 74.55 H new ATOM 0 HD22 ASN A 103 8.206 12.464 -19.651 1.00 74.55 H new ATOM 696 N ASP A 104 9.447 7.260 -16.947 1.00 65.03 N ATOM 697 CA ASP A 104 10.086 5.951 -17.017 1.00 34.52 C ATOM 698 C ASP A 104 9.888 5.180 -15.715 1.00 42.01 C ATOM 699 O ASP A 104 10.195 5.680 -14.633 1.00 12.13 O ATOM 700 CB ASP A 104 11.579 6.102 -17.313 1.00 15.12 C ATOM 701 CG ASP A 104 11.840 6.895 -18.578 1.00 42.11 C ATOM 702 OD1 ASP A 104 11.566 6.368 -19.677 1.00 35.03 O ATOM 703 OD2 ASP A 104 12.319 8.043 -18.470 1.00 10.21 O ATOM 0 H ASP A 104 9.569 7.742 -16.056 1.00 65.03 H new ATOM 0 HA ASP A 104 9.619 5.389 -17.826 1.00 34.52 H new ATOM 0 HB2 ASP A 104 12.065 6.595 -16.471 1.00 15.12 H new ATOM 0 HB3 ASP A 104 12.030 5.114 -17.407 1.00 15.12 H new ATOM 708 N VAL A 105 9.373 3.960 -15.828 1.00 30.22 N ATOM 709 CA VAL A 105 9.134 3.120 -14.660 1.00 63.22 C ATOM 710 C VAL A 105 10.403 2.386 -14.243 1.00 25.42 C ATOM 711 O VAL A 105 11.086 1.785 -15.073 1.00 13.34 O ATOM 712 CB VAL A 105 8.022 2.088 -14.929 1.00 4.43 C ATOM 713 CG1 VAL A 105 7.733 1.276 -13.675 1.00 40.54 C ATOM 714 CG2 VAL A 105 6.763 2.781 -15.428 1.00 22.21 C ATOM 0 H VAL A 105 9.113 3.531 -16.716 1.00 30.22 H new ATOM 0 HA VAL A 105 8.818 3.781 -13.853 1.00 63.22 H new ATOM 0 HB VAL A 105 8.364 1.403 -15.705 1.00 4.43 H new ATOM 0 HG11 VAL A 105 6.945 0.552 -13.884 1.00 40.54 H new ATOM 0 HG12 VAL A 105 8.636 0.750 -13.366 1.00 40.54 H new ATOM 0 HG13 VAL A 105 7.410 1.943 -12.876 1.00 40.54 H new ATOM 0 HG21 VAL A 105 5.988 2.038 -15.613 1.00 22.21 H new ATOM 0 HG22 VAL A 105 6.415 3.489 -14.676 1.00 22.21 H new ATOM 0 HG23 VAL A 105 6.983 3.314 -16.353 1.00 22.21 H new ATOM 724 N GLN A 106 10.713 2.438 -12.951 1.00 62.13 N ATOM 725 CA GLN A 106 11.901 1.777 -12.424 1.00 3.41 C ATOM 726 C GLN A 106 11.520 0.664 -11.454 1.00 12.01 C ATOM 727 O GLN A 106 10.349 0.500 -11.110 1.00 54.22 O ATOM 728 CB GLN A 106 12.806 2.792 -11.723 1.00 43.44 C ATOM 729 CG GLN A 106 13.227 3.949 -12.615 1.00 43.31 C ATOM 730 CD GLN A 106 13.667 3.494 -13.993 1.00 14.32 C ATOM 731 OE1 GLN A 106 12.868 3.814 -15.005 1.00 72.24 O flip ATOM 732 NE2 GLN A 106 14.712 2.862 -14.146 1.00 5.43 N flip ATOM 0 H GLN A 106 10.158 2.931 -12.251 1.00 62.13 H new ATOM 0 HA GLN A 106 12.441 1.335 -13.261 1.00 3.41 H new ATOM 0 HB2 GLN A 106 12.287 3.187 -10.850 1.00 43.44 H new ATOM 0 HB3 GLN A 106 13.698 2.281 -11.359 1.00 43.44 H new ATOM 0 HG2 GLN A 106 12.395 4.647 -12.715 1.00 43.31 H new ATOM 0 HG3 GLN A 106 14.043 4.492 -12.138 1.00 43.31 H new ATOM 0 HE21 GLN A 106 15.295 2.638 -13.340 1.00 5.43 H new ATOM 0 HE22 GLN A 106 14.995 2.562 -15.079 1.00 5.43 H new ATOM 741 N HIS A 107 12.516 -0.100 -11.016 1.00 12.53 N ATOM 742 CA HIS A 107 12.284 -1.198 -10.084 1.00 62.15 C ATOM 743 C HIS A 107 13.559 -1.540 -9.320 1.00 4.35 C ATOM 744 O HIS A 107 14.663 -1.208 -9.752 1.00 40.55 O ATOM 745 CB HIS A 107 11.779 -2.432 -10.833 1.00 50.45 C ATOM 746 CG HIS A 107 11.882 -2.312 -12.323 1.00 14.32 C ATOM 747 ND1 HIS A 107 13.086 -2.250 -12.992 1.00 32.52 N ATOM 748 CD2 HIS A 107 10.921 -2.243 -13.274 1.00 32.52 C ATOM 749 CE1 HIS A 107 12.861 -2.148 -14.290 1.00 4.04 C ATOM 750 NE2 HIS A 107 11.555 -2.142 -14.487 1.00 64.03 N ATOM 0 H HIS A 107 13.491 0.021 -11.291 1.00 12.53 H new ATOM 0 HA HIS A 107 11.526 -0.880 -9.368 1.00 62.15 H new ATOM 0 HB2 HIS A 107 12.347 -3.303 -10.507 1.00 50.45 H new ATOM 0 HB3 HIS A 107 10.738 -2.611 -10.562 1.00 50.45 H new ATOM 0 HD2 HIS A 107 9.854 -2.264 -13.109 1.00 32.52 H new ATOM 0 HE1 HIS A 107 13.616 -2.081 -15.059 1.00 4.04 H new ATOM 0 HE2 HIS A 107 11.093 -2.073 -15.394 1.00 64.03 H new ATOM 758 N PHE A 108 13.400 -2.204 -8.180 1.00 32.41 N ATOM 759 CA PHE A 108 14.538 -2.589 -7.354 1.00 21.44 C ATOM 760 C PHE A 108 14.469 -4.069 -6.988 1.00 61.33 C ATOM 761 O PHE A 108 13.433 -4.564 -6.544 1.00 54.33 O ATOM 762 CB PHE A 108 14.582 -1.740 -6.082 1.00 25.03 C ATOM 763 CG PHE A 108 14.803 -0.278 -6.345 1.00 4.23 C ATOM 764 CD1 PHE A 108 16.086 0.229 -6.479 1.00 52.32 C ATOM 765 CD2 PHE A 108 13.729 0.589 -6.458 1.00 13.31 C ATOM 766 CE1 PHE A 108 16.292 1.575 -6.720 1.00 73.54 C ATOM 767 CE2 PHE A 108 13.929 1.936 -6.700 1.00 35.44 C ATOM 768 CZ PHE A 108 15.212 2.428 -6.832 1.00 12.50 C ATOM 0 H PHE A 108 12.494 -2.487 -7.807 1.00 32.41 H new ATOM 0 HA PHE A 108 15.447 -2.417 -7.930 1.00 21.44 H new ATOM 0 HB2 PHE A 108 13.646 -1.866 -5.538 1.00 25.03 H new ATOM 0 HB3 PHE A 108 15.378 -2.109 -5.436 1.00 25.03 H new ATOM 0 HD1 PHE A 108 16.934 -0.434 -6.394 1.00 52.32 H new ATOM 0 HD2 PHE A 108 12.723 0.209 -6.356 1.00 13.31 H new ATOM 0 HE1 PHE A 108 17.297 1.959 -6.821 1.00 73.54 H new ATOM 0 HE2 PHE A 108 13.083 2.602 -6.786 1.00 35.44 H new ATOM 0 HZ PHE A 108 15.371 3.479 -7.023 1.00 12.50 H new ATOM 778 N LYS A 109 15.581 -4.772 -7.179 1.00 55.01 N ATOM 779 CA LYS A 109 15.649 -6.195 -6.870 1.00 20.20 C ATOM 780 C LYS A 109 15.830 -6.419 -5.372 1.00 12.51 C ATOM 781 O LYS A 109 16.873 -6.091 -4.807 1.00 3.03 O ATOM 782 CB LYS A 109 16.801 -6.850 -7.637 1.00 15.25 C ATOM 783 CG LYS A 109 16.365 -7.535 -8.920 1.00 32.41 C ATOM 784 CD LYS A 109 16.402 -9.048 -8.784 1.00 64.34 C ATOM 785 CE LYS A 109 17.651 -9.635 -9.426 1.00 53.51 C ATOM 786 NZ LYS A 109 17.359 -10.241 -10.755 1.00 11.33 N ATOM 0 H LYS A 109 16.447 -4.379 -7.546 1.00 55.01 H new ATOM 0 HA LYS A 109 14.709 -6.653 -7.177 1.00 20.20 H new ATOM 0 HB2 LYS A 109 17.546 -6.091 -7.875 1.00 15.25 H new ATOM 0 HB3 LYS A 109 17.287 -7.582 -6.991 1.00 15.25 H new ATOM 0 HG2 LYS A 109 15.355 -7.217 -9.179 1.00 32.41 H new ATOM 0 HG3 LYS A 109 17.016 -7.226 -9.738 1.00 32.41 H new ATOM 0 HD2 LYS A 109 16.371 -9.320 -7.729 1.00 64.34 H new ATOM 0 HD3 LYS A 109 15.516 -9.478 -9.250 1.00 64.34 H new ATOM 0 HE2 LYS A 109 18.402 -8.853 -9.540 1.00 53.51 H new ATOM 0 HE3 LYS A 109 18.076 -10.392 -8.767 1.00 53.51 H new ATOM 0 HZ1 LYS A 109 18.235 -10.630 -11.159 1.00 11.33 H new ATOM 0 HZ2 LYS A 109 16.661 -11.004 -10.643 1.00 11.33 H new ATOM 0 HZ3 LYS A 109 16.977 -9.513 -11.392 1.00 11.33 H new ATOM 800 N VAL A 110 14.807 -6.979 -4.734 1.00 62.41 N ATOM 801 CA VAL A 110 14.855 -7.249 -3.302 1.00 55.00 C ATOM 802 C VAL A 110 15.496 -8.602 -3.018 1.00 64.45 C ATOM 803 O VAL A 110 15.178 -9.601 -3.666 1.00 42.21 O ATOM 804 CB VAL A 110 13.446 -7.220 -2.679 1.00 24.33 C ATOM 805 CG1 VAL A 110 13.437 -7.955 -1.347 1.00 13.12 C ATOM 806 CG2 VAL A 110 12.968 -5.786 -2.509 1.00 63.13 C ATOM 0 H VAL A 110 13.935 -7.254 -5.186 1.00 62.41 H new ATOM 0 HA VAL A 110 15.461 -6.463 -2.852 1.00 55.00 H new ATOM 0 HB VAL A 110 12.758 -7.730 -3.354 1.00 24.33 H new ATOM 0 HG11 VAL A 110 12.434 -7.924 -0.921 1.00 13.12 H new ATOM 0 HG12 VAL A 110 13.734 -8.992 -1.502 1.00 13.12 H new ATOM 0 HG13 VAL A 110 14.136 -7.476 -0.662 1.00 13.12 H new ATOM 0 HG21 VAL A 110 11.971 -5.785 -2.068 1.00 63.13 H new ATOM 0 HG22 VAL A 110 13.655 -5.249 -1.855 1.00 63.13 H new ATOM 0 HG23 VAL A 110 12.935 -5.296 -3.482 1.00 63.13 H new ATOM 816 N LEU A 111 16.401 -8.630 -2.046 1.00 44.35 N ATOM 817 CA LEU A 111 17.089 -9.862 -1.676 1.00 10.35 C ATOM 818 C LEU A 111 16.635 -10.346 -0.302 1.00 70.44 C ATOM 819 O LEU A 111 16.303 -9.545 0.571 1.00 15.00 O ATOM 820 CB LEU A 111 18.603 -9.644 -1.677 1.00 62.33 C ATOM 821 CG LEU A 111 19.263 -9.529 -3.052 1.00 1.12 C ATOM 822 CD1 LEU A 111 18.881 -8.217 -3.719 1.00 52.10 C ATOM 823 CD2 LEU A 111 20.775 -9.646 -2.929 1.00 23.20 C ATOM 0 H LEU A 111 16.676 -7.814 -1.500 1.00 44.35 H new ATOM 0 HA LEU A 111 16.838 -10.625 -2.412 1.00 10.35 H new ATOM 0 HB2 LEU A 111 18.820 -8.736 -1.115 1.00 62.33 H new ATOM 0 HB3 LEU A 111 19.069 -10.470 -1.140 1.00 62.33 H new ATOM 0 HG LEU A 111 18.905 -10.348 -3.676 1.00 1.12 H new ATOM 0 HD11 LEU A 111 19.360 -8.153 -4.696 1.00 52.10 H new ATOM 0 HD12 LEU A 111 17.799 -8.173 -3.842 1.00 52.10 H new ATOM 0 HD13 LEU A 111 19.210 -7.384 -3.098 1.00 52.10 H new ATOM 0 HD21 LEU A 111 21.228 -9.562 -3.917 1.00 23.20 H new ATOM 0 HD22 LEU A 111 21.151 -8.848 -2.288 1.00 23.20 H new ATOM 0 HD23 LEU A 111 21.031 -10.612 -2.493 1.00 23.20 H new ATOM 835 N ARG A 112 16.626 -11.663 -0.119 1.00 14.45 N ATOM 836 CA ARG A 112 16.214 -12.254 1.149 1.00 74.03 C ATOM 837 C ARG A 112 17.247 -13.264 1.639 1.00 61.12 C ATOM 838 O ARG A 112 17.682 -14.137 0.887 1.00 13.11 O ATOM 839 CB ARG A 112 14.851 -12.934 1.000 1.00 43.23 C ATOM 840 CG ARG A 112 13.762 -12.008 0.483 1.00 62.24 C ATOM 841 CD ARG A 112 13.817 -11.874 -1.031 1.00 61.52 C ATOM 842 NE ARG A 112 13.969 -13.169 -1.690 1.00 34.11 N ATOM 843 CZ ARG A 112 14.490 -13.320 -2.902 1.00 63.41 C ATOM 844 NH1 ARG A 112 14.909 -12.263 -3.584 1.00 32.10 N ATOM 845 NH2 ARG A 112 14.595 -14.531 -3.434 1.00 72.34 N ATOM 0 H ARG A 112 16.899 -12.340 -0.832 1.00 14.45 H new ATOM 0 HA ARG A 112 16.135 -11.454 1.885 1.00 74.03 H new ATOM 0 HB2 ARG A 112 14.949 -13.781 0.321 1.00 43.23 H new ATOM 0 HB3 ARG A 112 14.547 -13.335 1.967 1.00 43.23 H new ATOM 0 HG2 ARG A 112 12.786 -12.391 0.780 1.00 62.24 H new ATOM 0 HG3 ARG A 112 13.871 -11.025 0.941 1.00 62.24 H new ATOM 0 HD2 ARG A 112 12.906 -11.392 -1.386 1.00 61.52 H new ATOM 0 HD3 ARG A 112 14.649 -11.227 -1.308 1.00 61.52 H new ATOM 0 HE ARG A 112 13.658 -14.003 -1.192 1.00 34.11 H new ATOM 0 HH11 ARG A 112 14.832 -11.331 -3.178 1.00 32.10 H new ATOM 0 HH12 ARG A 112 15.309 -12.382 -4.515 1.00 32.10 H new ATOM 0 HH21 ARG A 112 14.275 -15.347 -2.912 1.00 72.34 H new ATOM 0 HH22 ARG A 112 14.995 -14.646 -4.365 1.00 72.34 H new ATOM 859 N ASP A 113 17.636 -13.138 2.903 1.00 63.43 N ATOM 860 CA ASP A 113 18.618 -14.040 3.494 1.00 62.34 C ATOM 861 C ASP A 113 18.291 -14.316 4.958 1.00 74.43 C ATOM 862 O ASP A 113 17.386 -13.708 5.527 1.00 10.44 O ATOM 863 CB ASP A 113 20.023 -13.447 3.376 1.00 60.15 C ATOM 864 CG ASP A 113 20.786 -13.997 2.186 1.00 15.21 C ATOM 865 OD1 ASP A 113 20.158 -14.217 1.129 1.00 41.53 O ATOM 866 OD2 ASP A 113 22.010 -14.206 2.312 1.00 31.53 O ATOM 0 H ASP A 113 17.287 -12.420 3.538 1.00 63.43 H new ATOM 0 HA ASP A 113 18.583 -14.983 2.948 1.00 62.34 H new ATOM 0 HB2 ASP A 113 19.950 -12.363 3.288 1.00 60.15 H new ATOM 0 HB3 ASP A 113 20.580 -13.656 4.289 1.00 60.15 H new ATOM 871 N GLY A 114 19.033 -15.240 5.561 1.00 34.21 N ATOM 872 CA GLY A 114 18.805 -15.582 6.953 1.00 52.20 C ATOM 873 C GLY A 114 17.575 -16.447 7.144 1.00 60.22 C ATOM 874 O GLY A 114 17.679 -17.603 7.554 1.00 14.32 O ATOM 0 H GLY A 114 19.788 -15.758 5.111 1.00 34.21 H new ATOM 0 HA2 GLY A 114 19.678 -16.106 7.343 1.00 52.20 H new ATOM 0 HA3 GLY A 114 18.696 -14.667 7.535 1.00 52.20 H new ATOM 878 N ALA A 115 16.407 -15.887 6.847 1.00 41.22 N ATOM 879 CA ALA A 115 15.152 -16.615 6.988 1.00 65.34 C ATOM 880 C ALA A 115 14.008 -15.874 6.305 1.00 33.05 C ATOM 881 O ALA A 115 13.239 -16.463 5.546 1.00 1.43 O ATOM 882 CB ALA A 115 14.835 -16.841 8.459 1.00 45.04 C ATOM 0 H ALA A 115 16.304 -14.931 6.507 1.00 41.22 H new ATOM 0 HA ALA A 115 15.265 -17.583 6.500 1.00 65.34 H new ATOM 0 HB1 ALA A 115 13.895 -17.386 8.549 1.00 45.04 H new ATOM 0 HB2 ALA A 115 15.636 -17.420 8.919 1.00 45.04 H new ATOM 0 HB3 ALA A 115 14.747 -15.879 8.964 1.00 45.04 H new ATOM 888 N GLY A 116 13.900 -14.578 6.582 1.00 14.11 N ATOM 889 CA GLY A 116 12.845 -13.778 5.987 1.00 10.15 C ATOM 890 C GLY A 116 13.151 -12.294 6.026 1.00 43.21 C ATOM 891 O GLY A 116 12.243 -11.463 5.984 1.00 65.22 O ATOM 0 H GLY A 116 14.524 -14.068 7.207 1.00 14.11 H new ATOM 0 HA2 GLY A 116 12.697 -14.088 4.953 1.00 10.15 H new ATOM 0 HA3 GLY A 116 11.909 -13.967 6.513 1.00 10.15 H new ATOM 895 N LYS A 117 14.434 -11.958 6.108 1.00 63.13 N ATOM 896 CA LYS A 117 14.860 -10.564 6.153 1.00 75.25 C ATOM 897 C LYS A 117 15.125 -10.031 4.748 1.00 1.13 C ATOM 898 O LYS A 117 15.851 -10.647 3.967 1.00 55.30 O ATOM 899 CB LYS A 117 16.119 -10.421 7.010 1.00 13.05 C ATOM 900 CG LYS A 117 15.879 -10.671 8.489 1.00 13.23 C ATOM 901 CD LYS A 117 16.545 -9.610 9.349 1.00 12.14 C ATOM 902 CE LYS A 117 16.356 -9.894 10.832 1.00 72.45 C ATOM 903 NZ LYS A 117 14.995 -9.513 11.300 1.00 0.55 N ATOM 0 H LYS A 117 15.198 -12.633 6.145 1.00 63.13 H new ATOM 0 HA LYS A 117 14.056 -9.979 6.600 1.00 75.25 H new ATOM 0 HB2 LYS A 117 16.875 -11.119 6.650 1.00 13.05 H new ATOM 0 HB3 LYS A 117 16.524 -9.418 6.881 1.00 13.05 H new ATOM 0 HG2 LYS A 117 14.807 -10.682 8.688 1.00 13.23 H new ATOM 0 HG3 LYS A 117 16.264 -11.654 8.760 1.00 13.23 H new ATOM 0 HD2 LYS A 117 17.609 -9.569 9.118 1.00 12.14 H new ATOM 0 HD3 LYS A 117 16.129 -8.632 9.109 1.00 12.14 H new ATOM 0 HE2 LYS A 117 16.522 -10.954 11.023 1.00 72.45 H new ATOM 0 HE3 LYS A 117 17.104 -9.346 11.405 1.00 72.45 H new ATOM 0 HZ1 LYS A 117 14.906 -9.722 12.315 1.00 0.55 H new ATOM 0 HZ2 LYS A 117 14.845 -8.496 11.141 1.00 0.55 H new ATOM 0 HZ3 LYS A 117 14.282 -10.055 10.771 1.00 0.55 H new ATOM 917 N TYR A 118 14.535 -8.883 4.435 1.00 34.00 N ATOM 918 CA TYR A 118 14.707 -8.268 3.124 1.00 11.35 C ATOM 919 C TYR A 118 15.715 -7.124 3.188 1.00 72.11 C ATOM 920 O TYR A 118 15.680 -6.300 4.102 1.00 21.21 O ATOM 921 CB TYR A 118 13.366 -7.752 2.600 1.00 51.13 C ATOM 922 CG TYR A 118 12.228 -8.730 2.782 1.00 74.20 C ATOM 923 CD1 TYR A 118 11.505 -8.773 3.968 1.00 53.53 C ATOM 924 CD2 TYR A 118 11.874 -9.612 1.768 1.00 44.24 C ATOM 925 CE1 TYR A 118 10.465 -9.665 4.139 1.00 74.34 C ATOM 926 CE2 TYR A 118 10.835 -10.507 1.929 1.00 33.02 C ATOM 927 CZ TYR A 118 10.133 -10.530 3.117 1.00 62.34 C ATOM 928 OH TYR A 118 9.097 -11.420 3.283 1.00 72.15 O ATOM 0 H TYR A 118 13.933 -8.359 5.071 1.00 34.00 H new ATOM 0 HA TYR A 118 15.088 -9.027 2.441 1.00 11.35 H new ATOM 0 HB2 TYR A 118 13.119 -6.821 3.111 1.00 51.13 H new ATOM 0 HB3 TYR A 118 13.466 -7.517 1.540 1.00 51.13 H new ATOM 0 HD1 TYR A 118 11.761 -8.097 4.770 1.00 53.53 H new ATOM 0 HD2 TYR A 118 12.422 -9.597 0.837 1.00 44.24 H new ATOM 0 HE1 TYR A 118 9.914 -9.685 5.068 1.00 74.34 H new ATOM 0 HE2 TYR A 118 10.573 -11.185 1.130 1.00 33.02 H new ATOM 0 HH TYR A 118 8.993 -11.956 2.469 1.00 72.15 H new ATOM 938 N PHE A 119 16.612 -7.080 2.209 1.00 63.32 N ATOM 939 CA PHE A 119 17.631 -6.039 2.152 1.00 42.43 C ATOM 940 C PHE A 119 17.913 -5.632 0.708 1.00 12.33 C ATOM 941 O PHE A 119 17.452 -6.279 -0.233 1.00 31.33 O ATOM 942 CB PHE A 119 18.921 -6.521 2.819 1.00 43.45 C ATOM 943 CG PHE A 119 19.680 -7.526 2.000 1.00 50.32 C ATOM 944 CD1 PHE A 119 19.250 -8.840 1.920 1.00 75.25 C ATOM 945 CD2 PHE A 119 20.824 -7.156 1.311 1.00 51.11 C ATOM 946 CE1 PHE A 119 19.945 -9.768 1.167 1.00 41.53 C ATOM 947 CE2 PHE A 119 21.523 -8.079 0.556 1.00 3.33 C ATOM 948 CZ PHE A 119 21.084 -9.386 0.485 1.00 21.31 C ATOM 0 H PHE A 119 16.654 -7.753 1.444 1.00 63.32 H new ATOM 0 HA PHE A 119 17.256 -5.168 2.690 1.00 42.43 H new ATOM 0 HB2 PHE A 119 19.564 -5.662 3.012 1.00 43.45 H new ATOM 0 HB3 PHE A 119 18.678 -6.961 3.786 1.00 43.45 H new ATOM 0 HD1 PHE A 119 18.361 -9.144 2.452 1.00 75.25 H new ATOM 0 HD2 PHE A 119 21.173 -6.135 1.365 1.00 51.11 H new ATOM 0 HE1 PHE A 119 19.598 -10.789 1.112 1.00 41.53 H new ATOM 0 HE2 PHE A 119 22.412 -7.778 0.022 1.00 3.33 H new ATOM 0 HZ PHE A 119 21.630 -10.109 -0.103 1.00 21.31 H new ATOM 958 N LEU A 120 18.672 -4.554 0.541 1.00 32.32 N ATOM 959 CA LEU A 120 19.015 -4.059 -0.787 1.00 64.12 C ATOM 960 C LEU A 120 20.489 -3.671 -0.860 1.00 31.45 C ATOM 961 O LEU A 120 21.345 -4.502 -1.162 1.00 62.33 O ATOM 962 CB LEU A 120 18.142 -2.856 -1.146 1.00 75.03 C ATOM 963 CG LEU A 120 16.761 -3.177 -1.721 1.00 44.32 C ATOM 964 CD1 LEU A 120 15.690 -3.028 -0.652 1.00 41.11 C ATOM 965 CD2 LEU A 120 16.458 -2.279 -2.912 1.00 12.13 C ATOM 0 H LEU A 120 19.061 -4.007 1.309 1.00 32.32 H new ATOM 0 HA LEU A 120 18.833 -4.860 -1.504 1.00 64.12 H new ATOM 0 HB2 LEU A 120 18.009 -2.249 -0.251 1.00 75.03 H new ATOM 0 HB3 LEU A 120 18.681 -2.244 -1.869 1.00 75.03 H new ATOM 0 HG LEU A 120 16.762 -4.212 -2.063 1.00 44.32 H new ATOM 0 HD11 LEU A 120 14.715 -3.260 -1.079 1.00 41.11 H new ATOM 0 HD12 LEU A 120 15.899 -3.713 0.170 1.00 41.11 H new ATOM 0 HD13 LEU A 120 15.688 -2.004 -0.279 1.00 41.11 H new ATOM 0 HD21 LEU A 120 15.472 -2.521 -3.309 1.00 12.13 H new ATOM 0 HD22 LEU A 120 16.476 -1.236 -2.595 1.00 12.13 H new ATOM 0 HD23 LEU A 120 17.209 -2.436 -3.686 1.00 12.13 H new ATOM 977 N TRP A 121 20.777 -2.406 -0.578 1.00 15.13 N ATOM 978 CA TRP A 121 22.147 -1.909 -0.609 1.00 4.33 C ATOM 979 C TRP A 121 22.866 -2.211 0.702 1.00 53.32 C ATOM 980 O TRP A 121 23.758 -3.057 0.751 1.00 23.11 O ATOM 981 CB TRP A 121 22.160 -0.403 -0.876 1.00 55.21 C ATOM 982 CG TRP A 121 21.229 0.013 -1.975 1.00 14.03 C ATOM 983 CD1 TRP A 121 19.869 0.114 -1.902 1.00 74.54 C ATOM 984 CD2 TRP A 121 21.590 0.382 -3.310 1.00 73.01 C ATOM 985 NE1 TRP A 121 19.362 0.523 -3.112 1.00 64.25 N ATOM 986 CE2 TRP A 121 20.398 0.695 -3.993 1.00 12.25 C ATOM 987 CE3 TRP A 121 22.804 0.480 -3.995 1.00 53.32 C ATOM 988 CZ2 TRP A 121 20.387 1.098 -5.325 1.00 63.33 C ATOM 989 CZ3 TRP A 121 22.792 0.880 -5.318 1.00 75.31 C ATOM 990 CH2 TRP A 121 21.590 1.185 -5.972 1.00 3.23 C ATOM 0 H TRP A 121 20.080 -1.706 -0.325 1.00 15.13 H new ATOM 0 HA TRP A 121 22.673 -2.419 -1.416 1.00 4.33 H new ATOM 0 HB2 TRP A 121 21.889 0.123 0.039 1.00 55.21 H new ATOM 0 HB3 TRP A 121 23.174 -0.095 -1.132 1.00 55.21 H new ATOM 0 HD1 TRP A 121 19.279 -0.097 -1.022 1.00 74.54 H new ATOM 0 HE1 TRP A 121 18.375 0.674 -3.321 1.00 64.25 H new ATOM 0 HE3 TRP A 121 23.735 0.247 -3.500 1.00 53.32 H new ATOM 0 HZ2 TRP A 121 19.462 1.334 -5.830 1.00 63.33 H new ATOM 0 HZ3 TRP A 121 23.724 0.959 -5.857 1.00 75.31 H new ATOM 0 HH2 TRP A 121 21.614 1.495 -7.006 1.00 3.23 H new ATOM 1001 N VAL A 122 22.471 -1.514 1.763 1.00 52.55 N ATOM 1002 CA VAL A 122 23.077 -1.709 3.074 1.00 13.43 C ATOM 1003 C VAL A 122 22.017 -1.743 4.170 1.00 53.15 C ATOM 1004 O VAL A 122 22.335 -1.852 5.354 1.00 43.43 O ATOM 1005 CB VAL A 122 24.093 -0.597 3.394 1.00 45.31 C ATOM 1006 CG1 VAL A 122 25.242 -1.146 4.225 1.00 24.43 C ATOM 1007 CG2 VAL A 122 24.609 0.038 2.111 1.00 12.21 C ATOM 0 H VAL A 122 21.734 -0.809 1.740 1.00 52.55 H new ATOM 0 HA VAL A 122 23.595 -2.667 3.043 1.00 13.43 H new ATOM 0 HB VAL A 122 23.590 0.174 3.978 1.00 45.31 H new ATOM 0 HG11 VAL A 122 25.950 -0.346 4.441 1.00 24.43 H new ATOM 0 HG12 VAL A 122 24.854 -1.550 5.160 1.00 24.43 H new ATOM 0 HG13 VAL A 122 25.747 -1.937 3.670 1.00 24.43 H new ATOM 0 HG21 VAL A 122 25.326 0.822 2.356 1.00 12.21 H new ATOM 0 HG22 VAL A 122 25.096 -0.721 1.500 1.00 12.21 H new ATOM 0 HG23 VAL A 122 23.775 0.469 1.557 1.00 12.21 H new ATOM 1017 N VAL A 123 20.754 -1.650 3.766 1.00 15.01 N ATOM 1018 CA VAL A 123 19.645 -1.672 4.713 1.00 70.01 C ATOM 1019 C VAL A 123 18.910 -3.007 4.668 1.00 25.21 C ATOM 1020 O VAL A 123 18.750 -3.605 3.604 1.00 54.12 O ATOM 1021 CB VAL A 123 18.643 -0.537 4.430 1.00 35.40 C ATOM 1022 CG1 VAL A 123 17.850 -0.828 3.165 1.00 72.22 C ATOM 1023 CG2 VAL A 123 17.713 -0.340 5.618 1.00 40.21 C ATOM 0 H VAL A 123 20.473 -1.559 2.790 1.00 15.01 H new ATOM 0 HA VAL A 123 20.073 -1.530 5.705 1.00 70.01 H new ATOM 0 HB VAL A 123 19.201 0.387 4.276 1.00 35.40 H new ATOM 0 HG11 VAL A 123 17.147 -0.015 2.981 1.00 72.22 H new ATOM 0 HG12 VAL A 123 18.533 -0.916 2.320 1.00 72.22 H new ATOM 0 HG13 VAL A 123 17.301 -1.762 3.286 1.00 72.22 H new ATOM 0 HG21 VAL A 123 17.012 0.466 5.401 1.00 40.21 H new ATOM 0 HG22 VAL A 123 17.161 -1.261 5.805 1.00 40.21 H new ATOM 0 HG23 VAL A 123 18.299 -0.083 6.500 1.00 40.21 H new ATOM 1033 N LYS A 124 18.466 -3.471 5.831 1.00 15.42 N ATOM 1034 CA LYS A 124 17.746 -4.735 5.927 1.00 54.04 C ATOM 1035 C LYS A 124 16.612 -4.641 6.943 1.00 5.53 C ATOM 1036 O LYS A 124 16.626 -3.781 7.825 1.00 62.20 O ATOM 1037 CB LYS A 124 18.703 -5.863 6.318 1.00 44.42 C ATOM 1038 CG LYS A 124 19.260 -5.727 7.725 1.00 72.44 C ATOM 1039 CD LYS A 124 20.762 -5.956 7.755 1.00 53.14 C ATOM 1040 CE LYS A 124 21.445 -5.038 8.757 1.00 62.41 C ATOM 1041 NZ LYS A 124 22.451 -4.156 8.104 1.00 4.33 N ATOM 0 H LYS A 124 18.592 -2.990 6.721 1.00 15.42 H new ATOM 0 HA LYS A 124 17.316 -4.954 4.949 1.00 54.04 H new ATOM 0 HB2 LYS A 124 18.182 -6.816 6.233 1.00 44.42 H new ATOM 0 HB3 LYS A 124 19.531 -5.888 5.609 1.00 44.42 H new ATOM 0 HG2 LYS A 124 19.035 -4.733 8.112 1.00 72.44 H new ATOM 0 HG3 LYS A 124 18.769 -6.444 8.383 1.00 72.44 H new ATOM 0 HD2 LYS A 124 20.968 -6.995 8.013 1.00 53.14 H new ATOM 0 HD3 LYS A 124 21.177 -5.786 6.762 1.00 53.14 H new ATOM 0 HE2 LYS A 124 20.695 -4.425 9.258 1.00 62.41 H new ATOM 0 HE3 LYS A 124 21.932 -5.638 9.526 1.00 62.41 H new ATOM 0 HZ1 LYS A 124 22.894 -3.546 8.820 1.00 4.33 H new ATOM 0 HZ2 LYS A 124 23.180 -4.740 7.647 1.00 4.33 H new ATOM 0 HZ3 LYS A 124 21.982 -3.565 7.388 1.00 4.33 H new ATOM 1055 N PHE A 125 15.633 -5.530 6.816 1.00 43.24 N ATOM 1056 CA PHE A 125 14.493 -5.547 7.724 1.00 54.30 C ATOM 1057 C PHE A 125 13.897 -6.948 7.823 1.00 71.11 C ATOM 1058 O PHE A 125 14.407 -7.895 7.226 1.00 45.54 O ATOM 1059 CB PHE A 125 13.424 -4.558 7.253 1.00 30.11 C ATOM 1060 CG PHE A 125 13.789 -3.121 7.494 1.00 71.21 C ATOM 1061 CD1 PHE A 125 13.889 -2.625 8.784 1.00 64.02 C ATOM 1062 CD2 PHE A 125 14.032 -2.267 6.431 1.00 40.33 C ATOM 1063 CE1 PHE A 125 14.224 -1.303 9.008 1.00 63.00 C ATOM 1064 CE2 PHE A 125 14.368 -0.944 6.649 1.00 53.32 C ATOM 1065 CZ PHE A 125 14.465 -0.462 7.939 1.00 10.33 C ATOM 0 H PHE A 125 15.606 -6.249 6.093 1.00 43.24 H new ATOM 0 HA PHE A 125 14.843 -5.250 8.712 1.00 54.30 H new ATOM 0 HB2 PHE A 125 13.248 -4.706 6.188 1.00 30.11 H new ATOM 0 HB3 PHE A 125 12.487 -4.777 7.765 1.00 30.11 H new ATOM 0 HD1 PHE A 125 13.703 -3.279 9.623 1.00 64.02 H new ATOM 0 HD2 PHE A 125 13.958 -2.639 5.420 1.00 40.33 H new ATOM 0 HE1 PHE A 125 14.297 -0.928 10.018 1.00 63.00 H new ATOM 0 HE2 PHE A 125 14.554 -0.288 5.811 1.00 53.32 H new ATOM 0 HZ PHE A 125 14.729 0.571 8.112 1.00 10.33 H new ATOM 1075 N ASN A 126 12.813 -7.072 8.582 1.00 2.45 N ATOM 1076 CA ASN A 126 12.148 -8.357 8.761 1.00 13.14 C ATOM 1077 C ASN A 126 10.985 -8.508 7.785 1.00 11.03 C ATOM 1078 O ASN A 126 10.810 -9.560 7.170 1.00 42.30 O ATOM 1079 CB ASN A 126 11.643 -8.498 10.199 1.00 41.31 C ATOM 1080 CG ASN A 126 10.211 -8.026 10.358 1.00 54.13 C ATOM 1081 OD1 ASN A 126 9.273 -8.820 10.291 1.00 74.45 O ATOM 1082 ND2 ASN A 126 10.036 -6.727 10.569 1.00 11.42 N ATOM 0 H ASN A 126 12.377 -6.298 9.083 1.00 2.45 H new ATOM 0 HA ASN A 126 12.874 -9.145 8.559 1.00 13.14 H new ATOM 0 HB2 ASN A 126 11.715 -9.542 10.506 1.00 41.31 H new ATOM 0 HB3 ASN A 126 12.288 -7.925 10.865 1.00 41.31 H new ATOM 0 HD21 ASN A 126 9.095 -6.351 10.683 1.00 11.42 H new ATOM 0 HD22 ASN A 126 10.843 -6.105 10.617 1.00 11.42 H new ATOM 1089 N SER A 127 10.193 -7.449 7.649 1.00 72.44 N ATOM 1090 CA SER A 127 9.045 -7.465 6.750 1.00 54.21 C ATOM 1091 C SER A 127 9.240 -6.479 5.602 1.00 62.54 C ATOM 1092 O SER A 127 10.107 -5.606 5.658 1.00 22.21 O ATOM 1093 CB SER A 127 7.765 -7.124 7.517 1.00 63.32 C ATOM 1094 OG SER A 127 7.864 -5.853 8.134 1.00 1.33 O ATOM 0 H SER A 127 10.325 -6.570 8.149 1.00 72.44 H new ATOM 0 HA SER A 127 8.955 -8.468 6.334 1.00 54.21 H new ATOM 0 HB2 SER A 127 6.915 -7.135 6.835 1.00 63.32 H new ATOM 0 HB3 SER A 127 7.577 -7.886 8.274 1.00 63.32 H new ATOM 0 HG SER A 127 7.033 -5.658 8.616 1.00 1.33 H new ATOM 1100 N LEU A 128 8.429 -6.626 4.560 1.00 14.12 N ATOM 1101 CA LEU A 128 8.511 -5.750 3.397 1.00 52.51 C ATOM 1102 C LEU A 128 7.983 -4.357 3.726 1.00 51.20 C ATOM 1103 O LEU A 128 8.447 -3.360 3.174 1.00 74.23 O ATOM 1104 CB LEU A 128 7.721 -6.344 2.229 1.00 4.12 C ATOM 1105 CG LEU A 128 8.392 -7.499 1.484 1.00 0.34 C ATOM 1106 CD1 LEU A 128 7.465 -8.053 0.413 1.00 4.24 C ATOM 1107 CD2 LEU A 128 9.708 -7.045 0.871 1.00 43.45 C ATOM 0 H LEU A 128 7.707 -7.344 4.497 1.00 14.12 H new ATOM 0 HA LEU A 128 9.559 -5.663 3.112 1.00 52.51 H new ATOM 0 HB2 LEU A 128 6.759 -6.691 2.606 1.00 4.12 H new ATOM 0 HB3 LEU A 128 7.514 -5.548 1.514 1.00 4.12 H new ATOM 0 HG LEU A 128 8.603 -8.294 2.199 1.00 0.34 H new ATOM 0 HD11 LEU A 128 7.959 -8.874 -0.107 1.00 4.24 H new ATOM 0 HD12 LEU A 128 6.549 -8.417 0.878 1.00 4.24 H new ATOM 0 HD13 LEU A 128 7.222 -7.266 -0.301 1.00 4.24 H new ATOM 0 HD21 LEU A 128 10.171 -7.880 0.345 1.00 43.45 H new ATOM 0 HD22 LEU A 128 9.521 -6.232 0.169 1.00 43.45 H new ATOM 0 HD23 LEU A 128 10.376 -6.697 1.659 1.00 43.45 H new ATOM 1119 N ASN A 129 7.012 -4.296 4.631 1.00 35.41 N ATOM 1120 CA ASN A 129 6.421 -3.025 5.035 1.00 25.43 C ATOM 1121 C ASN A 129 7.500 -2.042 5.481 1.00 32.41 C ATOM 1122 O ASN A 129 7.420 -0.848 5.197 1.00 53.12 O ATOM 1123 CB ASN A 129 5.415 -3.244 6.167 1.00 42.50 C ATOM 1124 CG ASN A 129 5.579 -2.236 7.288 1.00 15.42 C ATOM 1125 OD1 ASN A 129 6.689 -2.329 8.011 1.00 54.12 O flip ATOM 1126 ND2 ASN A 129 4.717 -1.383 7.502 1.00 71.24 N flip ATOM 0 H ASN A 129 6.617 -5.112 5.099 1.00 35.41 H new ATOM 0 HA ASN A 129 5.903 -2.603 4.174 1.00 25.43 H new ATOM 0 HB2 ASN A 129 4.403 -3.178 5.768 1.00 42.50 H new ATOM 0 HB3 ASN A 129 5.535 -4.251 6.567 1.00 42.50 H new ATOM 0 HD21 ASN A 129 3.879 -1.348 6.921 1.00 71.24 H new ATOM 0 HD22 ASN A 129 4.841 -0.712 8.260 1.00 71.24 H new ATOM 1133 N GLU A 130 8.508 -2.555 6.181 1.00 55.15 N ATOM 1134 CA GLU A 130 9.602 -1.722 6.665 1.00 15.44 C ATOM 1135 C GLU A 130 10.320 -1.038 5.506 1.00 53.53 C ATOM 1136 O GLU A 130 10.955 0.003 5.681 1.00 11.20 O ATOM 1137 CB GLU A 130 10.595 -2.563 7.470 1.00 51.32 C ATOM 1138 CG GLU A 130 10.273 -2.631 8.953 1.00 3.13 C ATOM 1139 CD GLU A 130 10.519 -1.315 9.665 1.00 45.32 C ATOM 1140 OE1 GLU A 130 11.635 -0.768 9.534 1.00 34.40 O ATOM 1141 OE2 GLU A 130 9.596 -0.831 10.352 1.00 12.13 O ATOM 0 H GLU A 130 8.589 -3.542 6.425 1.00 55.15 H new ATOM 0 HA GLU A 130 9.180 -0.953 7.312 1.00 15.44 H new ATOM 0 HB2 GLU A 130 10.614 -3.574 7.064 1.00 51.32 H new ATOM 0 HB3 GLU A 130 11.595 -2.149 7.343 1.00 51.32 H new ATOM 0 HG2 GLU A 130 9.230 -2.920 9.081 1.00 3.13 H new ATOM 0 HG3 GLU A 130 10.879 -3.409 9.417 1.00 3.13 H new ATOM 1148 N LEU A 131 10.215 -1.629 4.321 1.00 31.51 N ATOM 1149 CA LEU A 131 10.854 -1.079 3.131 1.00 3.52 C ATOM 1150 C LEU A 131 9.968 -0.025 2.475 1.00 11.44 C ATOM 1151 O LEU A 131 10.395 1.107 2.249 1.00 43.54 O ATOM 1152 CB LEU A 131 11.164 -2.194 2.132 1.00 62.32 C ATOM 1153 CG LEU A 131 12.369 -3.076 2.463 1.00 73.33 C ATOM 1154 CD1 LEU A 131 11.917 -4.374 3.115 1.00 2.31 C ATOM 1155 CD2 LEU A 131 13.181 -3.362 1.208 1.00 31.50 C ATOM 0 H LEU A 131 9.693 -2.490 4.159 1.00 31.51 H new ATOM 0 HA LEU A 131 11.786 -0.604 3.437 1.00 3.52 H new ATOM 0 HB2 LEU A 131 10.285 -2.832 2.046 1.00 62.32 H new ATOM 0 HB3 LEU A 131 11.327 -1.743 1.153 1.00 62.32 H new ATOM 0 HG LEU A 131 13.004 -2.541 3.169 1.00 73.33 H new ATOM 0 HD11 LEU A 131 12.788 -4.989 3.343 1.00 2.31 H new ATOM 0 HD12 LEU A 131 11.379 -4.150 4.036 1.00 2.31 H new ATOM 0 HD13 LEU A 131 11.260 -4.914 2.433 1.00 2.31 H new ATOM 0 HD21 LEU A 131 14.034 -3.991 1.462 1.00 31.50 H new ATOM 0 HD22 LEU A 131 12.555 -3.877 0.479 1.00 31.50 H new ATOM 0 HD23 LEU A 131 13.536 -2.423 0.782 1.00 31.50 H new ATOM 1167 N VAL A 132 8.730 -0.404 2.174 1.00 11.25 N ATOM 1168 CA VAL A 132 7.782 0.509 1.548 1.00 54.32 C ATOM 1169 C VAL A 132 7.758 1.855 2.265 1.00 63.43 C ATOM 1170 O VAL A 132 7.695 2.907 1.629 1.00 4.23 O ATOM 1171 CB VAL A 132 6.358 -0.079 1.538 1.00 64.42 C ATOM 1172 CG1 VAL A 132 5.331 1.011 1.272 1.00 23.43 C ATOM 1173 CG2 VAL A 132 6.249 -1.190 0.504 1.00 51.10 C ATOM 0 H VAL A 132 8.360 -1.338 2.354 1.00 11.25 H new ATOM 0 HA VAL A 132 8.115 0.654 0.520 1.00 54.32 H new ATOM 0 HB VAL A 132 6.153 -0.505 2.520 1.00 64.42 H new ATOM 0 HG11 VAL A 132 4.331 0.576 1.269 1.00 23.43 H new ATOM 0 HG12 VAL A 132 5.394 1.769 2.053 1.00 23.43 H new ATOM 0 HG13 VAL A 132 5.530 1.470 0.304 1.00 23.43 H new ATOM 0 HG21 VAL A 132 5.237 -1.595 0.510 1.00 51.10 H new ATOM 0 HG22 VAL A 132 6.474 -0.790 -0.485 1.00 51.10 H new ATOM 0 HG23 VAL A 132 6.958 -1.982 0.745 1.00 51.10 H new ATOM 1183 N ASP A 133 7.810 1.812 3.591 1.00 11.54 N ATOM 1184 CA ASP A 133 7.796 3.029 4.396 1.00 24.41 C ATOM 1185 C ASP A 133 9.170 3.692 4.401 1.00 51.43 C ATOM 1186 O ASP A 133 9.300 4.874 4.081 1.00 4.44 O ATOM 1187 CB ASP A 133 7.364 2.713 5.829 1.00 70.12 C ATOM 1188 CG ASP A 133 6.872 3.941 6.569 1.00 3.21 C ATOM 1189 OD1 ASP A 133 7.708 4.640 7.179 1.00 22.34 O ATOM 1190 OD2 ASP A 133 5.651 4.203 6.539 1.00 45.51 O ATOM 0 H ASP A 133 7.862 0.949 4.132 1.00 11.54 H new ATOM 0 HA ASP A 133 7.080 3.721 3.953 1.00 24.41 H new ATOM 0 HB2 ASP A 133 6.574 1.963 5.810 1.00 70.12 H new ATOM 0 HB3 ASP A 133 8.204 2.278 6.371 1.00 70.12 H new ATOM 1195 N TYR A 134 10.191 2.925 4.766 1.00 72.03 N ATOM 1196 CA TYR A 134 11.554 3.439 4.815 1.00 2.55 C ATOM 1197 C TYR A 134 11.832 4.362 3.632 1.00 21.42 C ATOM 1198 O TYR A 134 12.480 5.399 3.777 1.00 14.01 O ATOM 1199 CB TYR A 134 12.557 2.285 4.823 1.00 24.22 C ATOM 1200 CG TYR A 134 14.000 2.736 4.857 1.00 0.32 C ATOM 1201 CD1 TYR A 134 14.643 3.161 3.701 1.00 2.24 C ATOM 1202 CD2 TYR A 134 14.720 2.739 6.046 1.00 74.30 C ATOM 1203 CE1 TYR A 134 15.961 3.574 3.728 1.00 63.30 C ATOM 1204 CE2 TYR A 134 16.038 3.151 6.082 1.00 34.02 C ATOM 1205 CZ TYR A 134 16.654 3.567 4.921 1.00 42.04 C ATOM 1206 OH TYR A 134 17.967 3.979 4.952 1.00 71.45 O ATOM 0 H TYR A 134 10.100 1.945 5.032 1.00 72.03 H new ATOM 0 HA TYR A 134 11.665 4.014 5.734 1.00 2.55 H new ATOM 0 HB2 TYR A 134 12.363 1.652 5.689 1.00 24.22 H new ATOM 0 HB3 TYR A 134 12.398 1.671 3.937 1.00 24.22 H new ATOM 0 HD1 TYR A 134 14.103 3.169 2.766 1.00 2.24 H new ATOM 0 HD2 TYR A 134 14.241 2.414 6.957 1.00 74.30 H new ATOM 0 HE1 TYR A 134 16.446 3.901 2.820 1.00 63.30 H new ATOM 0 HE2 TYR A 134 16.583 3.147 7.014 1.00 34.02 H new ATOM 0 HH TYR A 134 18.309 3.914 5.868 1.00 71.45 H new ATOM 1216 N HIS A 135 11.337 3.976 2.461 1.00 71.45 N ATOM 1217 CA HIS A 135 11.530 4.767 1.251 1.00 51.32 C ATOM 1218 C HIS A 135 10.499 5.889 1.165 1.00 22.14 C ATOM 1219 O HIS A 135 10.803 6.991 0.707 1.00 20.45 O ATOM 1220 CB HIS A 135 11.435 3.876 0.012 1.00 11.11 C ATOM 1221 CG HIS A 135 12.558 2.892 -0.105 1.00 72.04 C ATOM 1222 ND1 HIS A 135 12.910 2.027 0.909 1.00 10.44 N ATOM 1223 CD2 HIS A 135 13.408 2.637 -1.127 1.00 3.00 C ATOM 1224 CE1 HIS A 135 13.930 1.284 0.518 1.00 53.42 C ATOM 1225 NE2 HIS A 135 14.251 1.634 -0.715 1.00 0.33 N ATOM 0 H HIS A 135 10.799 3.120 2.324 1.00 71.45 H new ATOM 0 HA HIS A 135 12.524 5.212 1.293 1.00 51.32 H new ATOM 0 HB2 HIS A 135 10.489 3.335 0.036 1.00 11.11 H new ATOM 0 HB3 HIS A 135 11.420 4.505 -0.878 1.00 11.11 H new ATOM 0 HD2 HIS A 135 13.421 3.130 -2.088 1.00 3.00 H new ATOM 0 HE1 HIS A 135 14.418 0.521 1.106 1.00 53.42 H new ATOM 0 HE2 HIS A 135 15.003 1.226 -1.271 1.00 0.33 H new ATOM 1233 N ARG A 136 9.280 5.600 1.608 1.00 12.53 N ATOM 1234 CA ARG A 136 8.204 6.584 1.580 1.00 41.11 C ATOM 1235 C ARG A 136 8.630 7.876 2.271 1.00 22.14 C ATOM 1236 O ARG A 136 8.059 8.939 2.029 1.00 31.01 O ATOM 1237 CB ARG A 136 6.952 6.021 2.254 1.00 14.32 C ATOM 1238 CG ARG A 136 5.745 6.940 2.161 1.00 14.20 C ATOM 1239 CD ARG A 136 5.637 7.844 3.379 1.00 2.12 C ATOM 1240 NE ARG A 136 4.896 9.069 3.089 1.00 61.53 N ATOM 1241 CZ ARG A 136 4.384 9.858 4.027 1.00 61.35 C ATOM 1242 NH1 ARG A 136 4.533 9.552 5.308 1.00 15.41 N ATOM 1243 NH2 ARG A 136 3.722 10.955 3.683 1.00 44.40 N ATOM 0 H ARG A 136 9.013 4.693 1.990 1.00 12.53 H new ATOM 0 HA ARG A 136 7.978 6.808 0.538 1.00 41.11 H new ATOM 0 HB2 ARG A 136 6.704 5.062 1.798 1.00 14.32 H new ATOM 0 HB3 ARG A 136 7.171 5.828 3.304 1.00 14.32 H new ATOM 0 HG2 ARG A 136 5.819 7.549 1.260 1.00 14.20 H new ATOM 0 HG3 ARG A 136 4.838 6.343 2.068 1.00 14.20 H new ATOM 0 HD2 ARG A 136 5.143 7.305 4.188 1.00 2.12 H new ATOM 0 HD3 ARG A 136 6.637 8.100 3.730 1.00 2.12 H new ATOM 0 HE ARG A 136 4.765 9.333 2.113 1.00 61.53 H new ATOM 0 HH11 ARG A 136 5.042 8.709 5.575 1.00 15.41 H new ATOM 0 HH12 ARG A 136 4.139 10.159 6.027 1.00 15.41 H new ATOM 0 HH21 ARG A 136 3.606 11.193 2.698 1.00 44.40 H new ATOM 0 HH22 ARG A 136 3.329 11.561 4.404 1.00 44.40 H new ATOM 1257 N SER A 137 9.637 7.775 3.133 1.00 11.34 N ATOM 1258 CA SER A 137 10.137 8.934 3.863 1.00 12.55 C ATOM 1259 C SER A 137 11.566 9.265 3.445 1.00 23.10 C ATOM 1260 O SER A 137 12.025 10.398 3.597 1.00 31.34 O ATOM 1261 CB SER A 137 10.081 8.677 5.371 1.00 40.44 C ATOM 1262 OG SER A 137 9.398 9.722 6.041 1.00 13.22 O ATOM 0 H SER A 137 10.122 6.903 3.343 1.00 11.34 H new ATOM 0 HA SER A 137 9.500 9.786 3.623 1.00 12.55 H new ATOM 0 HB2 SER A 137 9.579 7.729 5.563 1.00 40.44 H new ATOM 0 HB3 SER A 137 11.093 8.588 5.766 1.00 40.44 H new ATOM 0 HG SER A 137 9.374 9.534 7.002 1.00 13.22 H new ATOM 1268 N THR A 138 12.267 8.267 2.916 1.00 22.31 N ATOM 1269 CA THR A 138 13.645 8.449 2.476 1.00 13.13 C ATOM 1270 C THR A 138 13.743 8.431 0.955 1.00 1.02 C ATOM 1271 O THR A 138 13.074 7.640 0.290 1.00 44.33 O ATOM 1272 CB THR A 138 14.567 7.358 3.052 1.00 3.20 C ATOM 1273 OG1 THR A 138 14.478 7.345 4.481 1.00 0.21 O ATOM 1274 CG2 THR A 138 16.010 7.592 2.631 1.00 2.41 C ATOM 0 H THR A 138 11.903 7.324 2.782 1.00 22.31 H new ATOM 0 HA THR A 138 13.970 9.421 2.847 1.00 13.13 H new ATOM 0 HB THR A 138 14.242 6.394 2.660 1.00 3.20 H new ATOM 0 HG1 THR A 138 13.802 6.693 4.761 1.00 0.21 H new ATOM 0 HG21 THR A 138 16.643 6.809 3.050 1.00 2.41 H new ATOM 0 HG22 THR A 138 16.080 7.572 1.543 1.00 2.41 H new ATOM 0 HG23 THR A 138 16.343 8.563 2.998 1.00 2.41 H new ATOM 1282 N SER A 139 14.582 9.307 0.411 1.00 75.04 N ATOM 1283 CA SER A 139 14.765 9.393 -1.033 1.00 41.54 C ATOM 1284 C SER A 139 14.772 8.004 -1.664 1.00 42.43 C ATOM 1285 O SER A 139 15.003 7.003 -0.986 1.00 43.14 O ATOM 1286 CB SER A 139 16.071 10.121 -1.360 1.00 54.12 C ATOM 1287 OG SER A 139 17.175 9.496 -0.729 1.00 14.23 O ATOM 0 H SER A 139 15.145 9.966 0.948 1.00 75.04 H new ATOM 0 HA SER A 139 13.929 9.957 -1.447 1.00 41.54 H new ATOM 0 HB2 SER A 139 16.224 10.133 -2.439 1.00 54.12 H new ATOM 0 HB3 SER A 139 16.003 11.160 -1.036 1.00 54.12 H new ATOM 0 HG SER A 139 17.997 9.979 -0.955 1.00 14.23 H new ATOM 1293 N VAL A 140 14.517 7.952 -2.968 1.00 2.01 N ATOM 1294 CA VAL A 140 14.495 6.687 -3.692 1.00 71.13 C ATOM 1295 C VAL A 140 15.301 6.778 -4.983 1.00 4.32 C ATOM 1296 O VAL A 140 16.010 5.842 -5.352 1.00 3.05 O ATOM 1297 CB VAL A 140 13.054 6.258 -4.029 1.00 43.53 C ATOM 1298 CG1 VAL A 140 13.041 4.868 -4.646 1.00 20.14 C ATOM 1299 CG2 VAL A 140 12.180 6.308 -2.786 1.00 35.22 C ATOM 0 H VAL A 140 14.323 8.771 -3.544 1.00 2.01 H new ATOM 0 HA VAL A 140 14.945 5.940 -3.038 1.00 71.13 H new ATOM 0 HB VAL A 140 12.646 6.956 -4.760 1.00 43.53 H new ATOM 0 HG11 VAL A 140 12.015 4.582 -4.877 1.00 20.14 H new ATOM 0 HG12 VAL A 140 13.632 4.871 -5.562 1.00 20.14 H new ATOM 0 HG13 VAL A 140 13.467 4.153 -3.942 1.00 20.14 H new ATOM 0 HG21 VAL A 140 11.166 6.002 -3.042 1.00 35.22 H new ATOM 0 HG22 VAL A 140 12.583 5.633 -2.031 1.00 35.22 H new ATOM 0 HG23 VAL A 140 12.164 7.325 -2.393 1.00 35.22 H new ATOM 1309 N SER A 141 15.188 7.913 -5.666 1.00 5.24 N ATOM 1310 CA SER A 141 15.905 8.126 -6.918 1.00 12.43 C ATOM 1311 C SER A 141 17.310 8.660 -6.656 1.00 12.24 C ATOM 1312 O SER A 141 17.506 9.533 -5.810 1.00 25.45 O ATOM 1313 CB SER A 141 15.135 9.101 -7.811 1.00 11.44 C ATOM 1314 OG SER A 141 14.999 8.590 -9.125 1.00 42.43 O ATOM 0 H SER A 141 14.607 8.699 -5.374 1.00 5.24 H new ATOM 0 HA SER A 141 15.989 7.166 -7.428 1.00 12.43 H new ATOM 0 HB2 SER A 141 14.149 9.287 -7.386 1.00 11.44 H new ATOM 0 HB3 SER A 141 15.655 10.059 -7.842 1.00 11.44 H new ATOM 0 HG SER A 141 14.342 7.863 -9.127 1.00 42.43 H new ATOM 1320 N ARG A 142 18.284 8.129 -7.388 1.00 13.41 N ATOM 1321 CA ARG A 142 19.671 8.551 -7.235 1.00 20.53 C ATOM 1322 C ARG A 142 19.961 9.786 -8.082 1.00 60.45 C ATOM 1323 O ARG A 142 21.040 10.371 -7.996 1.00 34.25 O ATOM 1324 CB ARG A 142 20.617 7.415 -7.628 1.00 64.13 C ATOM 1325 CG ARG A 142 20.282 6.087 -6.969 1.00 64.24 C ATOM 1326 CD ARG A 142 21.448 5.565 -6.144 1.00 61.42 C ATOM 1327 NE ARG A 142 22.560 5.127 -6.984 1.00 3.15 N ATOM 1328 CZ ARG A 142 23.633 5.871 -7.229 1.00 53.41 C ATOM 1329 NH1 ARG A 142 23.738 7.083 -6.702 1.00 14.43 N ATOM 1330 NH2 ARG A 142 24.604 5.403 -8.003 1.00 55.52 N ATOM 0 H ARG A 142 18.138 7.406 -8.093 1.00 13.41 H new ATOM 0 HA ARG A 142 19.834 8.805 -6.188 1.00 20.53 H new ATOM 0 HB2 ARG A 142 20.591 7.290 -8.711 1.00 64.13 H new ATOM 0 HB3 ARG A 142 21.637 7.695 -7.364 1.00 64.13 H new ATOM 0 HG2 ARG A 142 19.407 6.207 -6.330 1.00 64.24 H new ATOM 0 HG3 ARG A 142 20.020 5.356 -7.734 1.00 64.24 H new ATOM 0 HD2 ARG A 142 21.791 6.347 -5.467 1.00 61.42 H new ATOM 0 HD3 ARG A 142 21.111 4.733 -5.526 1.00 61.42 H new ATOM 0 HE ARG A 142 22.510 4.199 -7.405 1.00 3.15 H new ATOM 0 HH11 ARG A 142 22.994 7.446 -6.107 1.00 14.43 H new ATOM 0 HH12 ARG A 142 24.563 7.652 -6.892 1.00 14.43 H new ATOM 0 HH21 ARG A 142 24.527 4.471 -8.411 1.00 55.52 H new ATOM 0 HH22 ARG A 142 25.427 5.975 -8.190 1.00 55.52 H new ATOM 1344 N ASN A 143 18.990 10.175 -8.902 1.00 43.54 N ATOM 1345 CA ASN A 143 19.142 11.340 -9.767 1.00 12.21 C ATOM 1346 C ASN A 143 18.508 12.575 -9.133 1.00 33.53 C ATOM 1347 O ASN A 143 19.090 13.659 -9.146 1.00 33.33 O ATOM 1348 CB ASN A 143 18.508 11.073 -11.134 1.00 23.34 C ATOM 1349 CG ASN A 143 19.540 10.733 -12.192 1.00 75.23 C ATOM 1350 OD1 ASN A 143 19.692 9.573 -12.577 1.00 12.24 O ATOM 1351 ND2 ASN A 143 20.254 11.746 -12.669 1.00 20.32 N ATOM 0 H ASN A 143 18.091 9.701 -8.986 1.00 43.54 H new ATOM 0 HA ASN A 143 20.208 11.527 -9.898 1.00 12.21 H new ATOM 0 HB2 ASN A 143 17.796 10.252 -11.047 1.00 23.34 H new ATOM 0 HB3 ASN A 143 17.945 11.952 -11.448 1.00 23.34 H new ATOM 0 HD21 ASN A 143 20.962 11.579 -13.384 1.00 20.32 H new ATOM 0 HD22 ASN A 143 20.094 12.691 -12.321 1.00 20.32 H new ATOM 1358 N GLN A 144 17.312 12.400 -8.579 1.00 2.34 N ATOM 1359 CA GLN A 144 16.599 13.500 -7.940 1.00 4.24 C ATOM 1360 C GLN A 144 16.082 13.088 -6.565 1.00 40.24 C ATOM 1361 O GLN A 144 16.270 11.950 -6.138 1.00 34.43 O ATOM 1362 CB GLN A 144 15.435 13.961 -8.819 1.00 25.31 C ATOM 1363 CG GLN A 144 15.822 15.027 -9.831 1.00 3.11 C ATOM 1364 CD GLN A 144 14.716 16.036 -10.067 1.00 51.20 C ATOM 1365 OE1 GLN A 144 13.607 15.677 -10.463 1.00 54.23 O ATOM 1366 NE2 GLN A 144 15.012 17.308 -9.824 1.00 62.43 N ATOM 0 H GLN A 144 16.817 11.508 -8.560 1.00 2.34 H new ATOM 0 HA GLN A 144 17.298 14.327 -7.812 1.00 4.24 H new ATOM 0 HB2 GLN A 144 15.027 13.100 -9.349 1.00 25.31 H new ATOM 0 HB3 GLN A 144 14.640 14.349 -8.181 1.00 25.31 H new ATOM 0 HG2 GLN A 144 16.714 15.547 -9.482 1.00 3.11 H new ATOM 0 HG3 GLN A 144 16.080 14.549 -10.776 1.00 3.11 H new ATOM 0 HE21 GLN A 144 15.944 17.561 -9.497 1.00 62.43 H new ATOM 0 HE22 GLN A 144 14.307 18.032 -9.965 1.00 62.43 H new ATOM 1375 N GLN A 145 15.431 14.022 -5.879 1.00 60.13 N ATOM 1376 CA GLN A 145 14.888 13.755 -4.553 1.00 12.13 C ATOM 1377 C GLN A 145 13.396 13.449 -4.627 1.00 74.30 C ATOM 1378 O GLN A 145 12.570 14.357 -4.721 1.00 13.32 O ATOM 1379 CB GLN A 145 15.130 14.950 -3.629 1.00 52.55 C ATOM 1380 CG GLN A 145 16.533 14.994 -3.045 1.00 75.13 C ATOM 1381 CD GLN A 145 16.652 15.962 -1.885 1.00 52.31 C ATOM 1382 OE1 GLN A 145 15.935 15.849 -0.891 1.00 15.14 O ATOM 1383 NE2 GLN A 145 17.561 16.922 -2.006 1.00 4.21 N ATOM 0 H GLN A 145 15.267 14.969 -6.219 1.00 60.13 H new ATOM 0 HA GLN A 145 15.400 12.882 -4.148 1.00 12.13 H new ATOM 0 HB2 GLN A 145 14.947 15.870 -4.184 1.00 52.55 H new ATOM 0 HB3 GLN A 145 14.407 14.921 -2.814 1.00 52.55 H new ATOM 0 HG2 GLN A 145 16.815 13.996 -2.710 1.00 75.13 H new ATOM 0 HG3 GLN A 145 17.238 15.279 -3.825 1.00 75.13 H new ATOM 0 HE21 GLN A 145 18.134 16.978 -2.848 1.00 4.21 H new ATOM 0 HE22 GLN A 145 17.686 17.603 -1.257 1.00 4.21 H new ATOM 1392 N ILE A 146 13.058 12.164 -4.585 1.00 14.42 N ATOM 1393 CA ILE A 146 11.665 11.739 -4.647 1.00 13.23 C ATOM 1394 C ILE A 146 11.323 10.807 -3.490 1.00 33.24 C ATOM 1395 O ILE A 146 12.192 10.117 -2.956 1.00 10.41 O ATOM 1396 CB ILE A 146 11.352 11.026 -5.976 1.00 3.15 C ATOM 1397 CG1 ILE A 146 11.646 11.952 -7.158 1.00 22.23 C ATOM 1398 CG2 ILE A 146 9.902 10.568 -6.002 1.00 71.34 C ATOM 1399 CD1 ILE A 146 11.783 11.223 -8.476 1.00 41.23 C ATOM 0 H ILE A 146 13.729 11.400 -4.508 1.00 14.42 H new ATOM 0 HA ILE A 146 11.057 12.641 -4.576 1.00 13.23 H new ATOM 0 HB ILE A 146 11.991 10.147 -6.060 1.00 3.15 H new ATOM 0 HG12 ILE A 146 10.846 12.688 -7.240 1.00 22.23 H new ATOM 0 HG13 ILE A 146 12.566 12.502 -6.959 1.00 22.23 H new ATOM 0 HG21 ILE A 146 9.696 10.066 -6.947 1.00 71.34 H new ATOM 0 HG22 ILE A 146 9.724 9.877 -5.178 1.00 71.34 H new ATOM 0 HG23 ILE A 146 9.246 11.432 -5.899 1.00 71.34 H new ATOM 0 HD11 ILE A 146 11.991 11.941 -9.269 1.00 41.23 H new ATOM 0 HD12 ILE A 146 12.602 10.506 -8.412 1.00 41.23 H new ATOM 0 HD13 ILE A 146 10.855 10.695 -8.698 1.00 41.23 H new ATOM 1411 N PHE A 147 10.050 10.789 -3.107 1.00 41.33 N ATOM 1412 CA PHE A 147 9.592 9.941 -2.014 1.00 31.44 C ATOM 1413 C PHE A 147 8.628 8.872 -2.521 1.00 41.24 C ATOM 1414 O PHE A 147 7.850 9.110 -3.446 1.00 11.50 O ATOM 1415 CB PHE A 147 8.912 10.786 -0.934 1.00 71.45 C ATOM 1416 CG PHE A 147 9.829 11.784 -0.288 1.00 64.20 C ATOM 1417 CD1 PHE A 147 11.133 11.441 0.032 1.00 30.41 C ATOM 1418 CD2 PHE A 147 9.388 13.065 0.000 1.00 50.20 C ATOM 1419 CE1 PHE A 147 11.980 12.357 0.627 1.00 61.23 C ATOM 1420 CE2 PHE A 147 10.231 13.986 0.594 1.00 35.20 C ATOM 1421 CZ PHE A 147 11.528 13.631 0.909 1.00 73.21 C ATOM 0 H PHE A 147 9.318 11.353 -3.538 1.00 41.33 H new ATOM 0 HA PHE A 147 10.462 9.446 -1.584 1.00 31.44 H new ATOM 0 HB2 PHE A 147 8.067 11.314 -1.376 1.00 71.45 H new ATOM 0 HB3 PHE A 147 8.509 10.125 -0.167 1.00 71.45 H new ATOM 0 HD1 PHE A 147 11.492 10.446 -0.186 1.00 30.41 H new ATOM 0 HD2 PHE A 147 8.374 13.348 -0.242 1.00 50.20 H new ATOM 0 HE1 PHE A 147 12.994 12.077 0.871 1.00 61.23 H new ATOM 0 HE2 PHE A 147 9.875 14.982 0.812 1.00 35.20 H new ATOM 0 HZ PHE A 147 12.187 14.348 1.375 1.00 73.21 H new ATOM 1431 N LEU A 148 8.686 7.694 -1.911 1.00 31.31 N ATOM 1432 CA LEU A 148 7.819 6.587 -2.300 1.00 71.03 C ATOM 1433 C LEU A 148 6.359 6.904 -1.993 1.00 1.54 C ATOM 1434 O LEU A 148 5.954 6.943 -0.831 1.00 14.31 O ATOM 1435 CB LEU A 148 8.238 5.306 -1.576 1.00 53.14 C ATOM 1436 CG LEU A 148 8.205 4.024 -2.408 1.00 71.44 C ATOM 1437 CD1 LEU A 148 9.601 3.667 -2.894 1.00 61.32 C ATOM 1438 CD2 LEU A 148 7.610 2.879 -1.601 1.00 4.12 C ATOM 0 H LEU A 148 9.324 7.480 -1.145 1.00 31.31 H new ATOM 0 HA LEU A 148 7.921 6.439 -3.375 1.00 71.03 H new ATOM 0 HB2 LEU A 148 9.250 5.442 -1.195 1.00 53.14 H new ATOM 0 HB3 LEU A 148 7.587 5.171 -0.712 1.00 53.14 H new ATOM 0 HG LEU A 148 7.572 4.195 -3.279 1.00 71.44 H new ATOM 0 HD11 LEU A 148 9.558 2.752 -3.484 1.00 61.32 H new ATOM 0 HD12 LEU A 148 9.990 4.478 -3.510 1.00 61.32 H new ATOM 0 HD13 LEU A 148 10.257 3.515 -2.037 1.00 61.32 H new ATOM 0 HD21 LEU A 148 7.595 1.975 -2.209 1.00 4.12 H new ATOM 0 HD22 LEU A 148 8.216 2.708 -0.711 1.00 4.12 H new ATOM 0 HD23 LEU A 148 6.593 3.134 -1.304 1.00 4.12 H new ATOM 1450 N ARG A 149 5.574 7.129 -3.041 1.00 70.22 N ATOM 1451 CA ARG A 149 4.159 7.442 -2.883 1.00 31.30 C ATOM 1452 C ARG A 149 3.320 6.167 -2.852 1.00 4.23 C ATOM 1453 O ARG A 149 3.577 5.225 -3.601 1.00 60.13 O ATOM 1454 CB ARG A 149 3.685 8.349 -4.020 1.00 60.10 C ATOM 1455 CG ARG A 149 4.415 9.681 -4.081 1.00 33.21 C ATOM 1456 CD ARG A 149 3.921 10.636 -3.006 1.00 14.30 C ATOM 1457 NE ARG A 149 4.747 10.581 -1.803 1.00 14.11 N ATOM 1458 CZ ARG A 149 4.784 11.547 -0.892 1.00 52.30 C ATOM 1459 NH1 ARG A 149 4.045 12.637 -1.047 1.00 2.54 N ATOM 1460 NH2 ARG A 149 5.561 11.424 0.176 1.00 32.15 N ATOM 0 H ARG A 149 5.894 7.100 -4.009 1.00 70.22 H new ATOM 0 HA ARG A 149 4.032 7.963 -1.934 1.00 31.30 H new ATOM 0 HB2 ARG A 149 3.817 7.828 -4.968 1.00 60.10 H new ATOM 0 HB3 ARG A 149 2.617 8.534 -3.904 1.00 60.10 H new ATOM 0 HG2 ARG A 149 5.486 9.516 -3.959 1.00 33.21 H new ATOM 0 HG3 ARG A 149 4.272 10.131 -5.063 1.00 33.21 H new ATOM 0 HD2 ARG A 149 3.919 11.653 -3.398 1.00 14.30 H new ATOM 0 HD3 ARG A 149 2.890 10.391 -2.749 1.00 14.30 H new ATOM 0 HE ARG A 149 5.327 9.756 -1.654 1.00 14.11 H new ATOM 0 HH11 ARG A 149 3.446 12.735 -1.867 1.00 2.54 H new ATOM 0 HH12 ARG A 149 4.075 13.377 -0.346 1.00 2.54 H new ATOM 0 HH21 ARG A 149 6.131 10.587 0.298 1.00 32.15 H new ATOM 0 HH22 ARG A 149 5.589 12.166 0.875 1.00 32.15 H new ATOM 1474 N ASP A 150 2.319 6.146 -1.980 1.00 34.34 N ATOM 1475 CA ASP A 150 1.442 4.988 -1.851 1.00 31.54 C ATOM 1476 C ASP A 150 0.522 4.865 -3.061 1.00 52.02 C ATOM 1477 O ASP A 150 -0.368 5.692 -3.263 1.00 33.24 O ATOM 1478 CB ASP A 150 0.611 5.090 -0.571 1.00 14.41 C ATOM 1479 CG ASP A 150 -0.157 3.817 -0.275 1.00 24.30 C ATOM 1480 OD1 ASP A 150 0.451 2.728 -0.346 1.00 72.41 O ATOM 1481 OD2 ASP A 150 -1.364 3.909 0.029 1.00 72.03 O ATOM 0 H ASP A 150 2.094 6.917 -1.352 1.00 34.34 H new ATOM 0 HA ASP A 150 2.066 4.096 -1.799 1.00 31.54 H new ATOM 0 HB2 ASP A 150 1.268 5.317 0.268 1.00 14.41 H new ATOM 0 HB3 ASP A 150 -0.089 5.920 -0.661 1.00 14.41 H new ATOM 1486 N ILE A 151 0.743 3.830 -3.864 1.00 23.31 N ATOM 1487 CA ILE A 151 -0.066 3.600 -5.054 1.00 61.32 C ATOM 1488 C ILE A 151 -1.540 3.448 -4.696 1.00 32.33 C ATOM 1489 O ILE A 151 -1.881 2.883 -3.657 1.00 20.10 O ATOM 1490 CB ILE A 151 0.398 2.344 -5.816 1.00 54.12 C ATOM 1491 CG1 ILE A 151 -0.111 2.380 -7.259 1.00 23.31 C ATOM 1492 CG2 ILE A 151 -0.086 1.087 -5.109 1.00 72.22 C ATOM 1493 CD1 ILE A 151 -0.191 1.014 -7.905 1.00 43.42 C ATOM 0 H ILE A 151 1.476 3.137 -3.712 1.00 23.31 H new ATOM 0 HA ILE A 151 0.061 4.472 -5.695 1.00 61.32 H new ATOM 0 HB ILE A 151 1.488 2.330 -5.835 1.00 54.12 H new ATOM 0 HG12 ILE A 151 -1.099 2.840 -7.276 1.00 23.31 H new ATOM 0 HG13 ILE A 151 0.546 3.016 -7.852 1.00 23.31 H new ATOM 0 HG21 ILE A 151 0.250 0.208 -5.659 1.00 72.22 H new ATOM 0 HG22 ILE A 151 0.320 1.059 -4.098 1.00 72.22 H new ATOM 0 HG23 ILE A 151 -1.175 1.092 -5.063 1.00 72.22 H new ATOM 0 HD11 ILE A 151 -0.559 1.115 -8.926 1.00 43.42 H new ATOM 0 HD12 ILE A 151 0.800 0.560 -7.920 1.00 43.42 H new ATOM 0 HD13 ILE A 151 -0.871 0.381 -7.335 1.00 43.42 H new ATOM 1505 N GLU A 152 -2.410 3.954 -5.564 1.00 12.30 N ATOM 1506 CA GLU A 152 -3.849 3.874 -5.339 1.00 25.55 C ATOM 1507 C GLU A 152 -4.383 2.497 -5.724 1.00 11.15 C ATOM 1508 O GLU A 152 -4.948 2.319 -6.803 1.00 4.45 O ATOM 1509 CB GLU A 152 -4.574 4.957 -6.139 1.00 73.22 C ATOM 1510 CG GLU A 152 -4.312 6.366 -5.634 1.00 30.40 C ATOM 1511 CD GLU A 152 -2.983 6.918 -6.110 1.00 43.24 C ATOM 1512 OE1 GLU A 152 -1.936 6.473 -5.595 1.00 42.43 O ATOM 1513 OE2 GLU A 152 -2.990 7.796 -6.999 1.00 70.31 O ATOM 0 H GLU A 152 -2.144 4.424 -6.429 1.00 12.30 H new ATOM 0 HA GLU A 152 -4.035 4.033 -4.277 1.00 25.55 H new ATOM 0 HB2 GLU A 152 -4.268 4.892 -7.183 1.00 73.22 H new ATOM 0 HB3 GLU A 152 -5.646 4.763 -6.108 1.00 73.22 H new ATOM 0 HG2 GLU A 152 -5.115 7.023 -5.968 1.00 30.40 H new ATOM 0 HG3 GLU A 152 -4.332 6.367 -4.544 1.00 30.40 H new ATOM 1520 N GLN A 153 -4.200 1.527 -4.833 1.00 41.42 N ATOM 1521 CA GLN A 153 -4.662 0.167 -5.080 1.00 74.22 C ATOM 1522 C GLN A 153 -6.183 0.084 -4.993 1.00 3.43 C ATOM 1523 O GLN A 153 -6.824 0.919 -4.355 1.00 55.53 O ATOM 1524 CB GLN A 153 -4.029 -0.800 -4.078 1.00 1.41 C ATOM 1525 CG GLN A 153 -3.540 -2.094 -4.707 1.00 22.22 C ATOM 1526 CD GLN A 153 -3.901 -3.315 -3.885 1.00 33.54 C ATOM 1527 OE1 GLN A 153 -3.056 -4.170 -3.617 1.00 34.23 O ATOM 1528 NE2 GLN A 153 -5.163 -3.404 -3.479 1.00 24.11 N ATOM 0 H GLN A 153 -3.735 1.658 -3.935 1.00 41.42 H new ATOM 0 HA GLN A 153 -4.358 -0.115 -6.088 1.00 74.22 H new ATOM 0 HB2 GLN A 153 -3.191 -0.305 -3.588 1.00 1.41 H new ATOM 0 HB3 GLN A 153 -4.758 -1.035 -3.303 1.00 1.41 H new ATOM 0 HG2 GLN A 153 -3.968 -2.193 -5.705 1.00 22.22 H new ATOM 0 HG3 GLN A 153 -2.458 -2.049 -4.827 1.00 22.22 H new ATOM 0 HE21 GLN A 153 -5.830 -2.672 -3.724 1.00 24.11 H new ATOM 0 HE22 GLN A 153 -5.464 -4.204 -2.922 1.00 24.11 H new